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Showing NP-Card for Nobilamide B (NP0009974)

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Record Information
Version2.0
Created at2021-01-05 19:39:00 UTC
Updated at2021-07-15 17:04:47 UTC
NP-MRD IDNP0009974
Secondary Accession NumbersNone
Natural Product Identification
Common NameNobilamide B
Provided ByNPAtlasNPAtlas Logo
DescriptionNobilamide B belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Nobilamide B is found in Streptomyces sp. CN48. Nobilamide B was first documented in 2011 (PMID: 21524089). Based on a literature review very few articles have been published on Nobilamide B.
Structure
Data?1621576200
MOL3D MOLSDF3D SDFPDBSMILESInChI

MOL for NP0009974 (Nobilamide B)


  Mrv1652307012120353D          

121122  0  0  0  0            999 V2000
   12.6620    0.1149   -1.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9645   -0.1488   -0.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2424    0.3714    0.6882 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1456    1.2035    0.3555 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8111    0.8769    0.7324 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6371   -0.2017    1.3934 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6554    1.7010    0.3993 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7665    3.0987    1.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3893    1.0860    0.8256 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3456    0.8705   -0.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5532    1.2311   -1.2976 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0744    0.2697    0.2622 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2058    0.3313   -0.9491 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9257    0.9346   -0.8326 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6122    1.3773    0.3294 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9959    1.0670   -1.9392 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7761    1.7214   -1.4702 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2006    1.0324   -0.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0074   -0.1663   -0.4070 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4301    1.6815   -0.2839 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.0778    1.2357    4.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.7695    1.8864   -2.6973 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

3D MOL for NP0009974 (Nobilamide B)

     RDKit          3D

121122  0  0  0  0  0  0  0  0999 V2000
   12.6620    0.1149   -1.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9645   -0.1488   -0.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2424    0.3714    0.6882 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1456    1.2035    0.3555 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8111    0.8769    0.7324 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6371   -0.2017    1.3934 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6554    1.7010    0.3993 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7665    3.0987    1.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3893    1.0860    0.8256 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3456    0.8705   -0.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5532    1.2311   -1.2976 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0744    0.2697    0.2622 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2058    0.3313   -0.9491 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9257    0.9346   -0.8326 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6122    1.3773    0.3294 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9959    1.0670   -1.9392 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7761    1.7214   -1.4702 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2006    1.0324   -0.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0074   -0.1663   -0.4070 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

3D SDF for NP0009974 (Nobilamide B)


  Mrv1652307012120353D          

121122  0  0  0  0            999 V2000
   12.6620    0.1149   -1.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5148    0.1238    2.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8048    0.6377    3.0035 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5759   -0.6945    2.4528 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8448   -0.5382   -2.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5735   -0.0132   -2.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3414    1.1924   -1.7706 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7912   -0.7797    0.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2770    2.0903   -0.1761 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5643    1.8623   -0.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4450    3.6786    0.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2057    3.0862    2.0235 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8018    3.6241    1.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3380    0.8497    1.8181 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4899    0.8436    1.0417 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380   -0.0545   -1.8423 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4483    1.7445   -2.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6491    2.7424   -1.7316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9475    2.1535   -1.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6425    3.4897    0.4935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3111    3.1793    1.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7173    1.3189    2.7252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8831    0.4859    4.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4126    0.8582    5.5040 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9512    2.0664    3.9691 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1269    2.8997    1.8472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8954   -0.1766    0.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2014   -1.4183   -0.4842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599   -1.0727    1.8808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5795   -0.1147    2.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5642   -2.2555    3.3185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6808   -1.1639    2.8363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9609   -2.2966    1.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7023   -2.8996    3.1095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3322   -3.3787    0.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5816   -3.9086    2.0798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3089   -4.2054    1.7546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5672   -0.1081    0.7139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3687    0.2904   -0.7810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2109   -1.7043   -3.0799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7219   -1.1453   -2.3508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8728   -3.4680   -1.8837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9061   -5.3217   -0.2291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6302   -5.4325    1.4432 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3996   -3.6505    1.4804 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3824   -1.8462   -0.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4698    0.4692   -3.6586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4131    2.3342   -4.6793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9702    3.3074   -4.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5861    3.4951   -2.5767 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4203    4.2959   -4.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2546    4.7514   -2.9247 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2950   -0.9477   -1.9826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1090    0.6015   -3.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3960   -1.0032   -4.1857 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3447    0.4711   -4.6754 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8675   -1.7768   -3.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0423   -1.4743    0.8665 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0173   -2.3474   -1.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7002   -1.7877   -0.5669 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8208   -3.0943    0.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5980   -0.4732    2.7071 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3699   -2.2714    2.5077 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8766   -1.4557    1.9147 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5498   -0.3842    2.4769 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
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 57120  1  0  0  0  0
 60121  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0009974

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC(=O)C(\N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])[C@]([H])(O[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])=C(/[H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C43H61N7O10/c1-9-30(43(59)60)46-37(53)26(7)44-41(57)35(25(5)6)49-42(58)36(27(8)51)50-40(56)33(23-29-19-15-12-16-20-29)48-38(54)31(21-24(3)4)47-39(55)32(45-34(52)10-2)22-28-17-13-11-14-18-28/h9,11-20,24-27,31-33,35-36,51H,10,21-23H2,1-8H3,(H,44,57)(H,45,52)(H,46,53)(H,47,55)(H,48,54)(H,49,58)(H,50,56)(H,59,60)/b30-9-/t26-,27+,31+,32-,33-,35-,36+/m0/s1

> <INCHI_KEY>
BIFGNCSVWQWVNT-JCEJUIOTSA-N

> <FORMULA>
C43H61N7O10

> <MOLECULAR_WEIGHT>
836.0

> <EXACT_MASS>
835.447991192

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
121

> <JCHEM_AVERAGE_POLARIZABILITY>
89.90924298704991

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2Z)-2-[(2S)-2-[(2S)-2-[(2R,3R)-3-hydroxy-2-[(2S)-2-[(2R)-4-methyl-2-[(2S)-3-phenyl-2-propanamidopropanamido]pentanamido]-3-phenylpropanamido]butanamido]-3-methylbutanamido]propanamido]but-2-enoic acid

> <ALOGPS_LOGP>
2.69

> <JCHEM_LOGP>
1.8879353319999987

> <ALOGPS_LOGS>
-5.15

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
11.61771427276453

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.9151020741355076

> <JCHEM_POLAR_SURFACE_AREA>
261.22999999999996

> <JCHEM_REFRACTIVITY>
222.31460000000013

> <JCHEM_ROTATABLE_BOND_COUNT>
23

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.95e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2Z)-2-[(2S)-2-[(2S)-2-[(2R,3R)-3-hydroxy-2-[(2S)-2-[(2R)-4-methyl-2-[(2S)-3-phenyl-2-propanamidopropanamido]pentanamido]-3-phenylpropanamido]butanamido]-3-methylbutanamido]propanamido]but-2-enoic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for NP0009974 (Nobilamide B)

     RDKit          3D

121122  0  0  0  0  0  0  0  0999 V2000
   12.6620    0.1149   -1.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9645   -0.1488   -0.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2424    0.3714    0.6882 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1456    1.2035    0.3555 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8111    0.8769    0.7324 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6371   -0.2017    1.3934 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6554    1.7010    0.3993 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7665    3.0987    1.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3893    1.0860    0.8256 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3456    0.8705   -0.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5532    1.2311   -1.2976 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0744    0.2697    0.2622 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2058    0.3313   -0.9491 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9257    0.9346   -0.8326 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6122    1.3773    0.3294 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9959    1.0670   -1.9392 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7761    1.7214   -1.4702 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2006    1.0324   -0.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0074   -0.1663   -0.4070 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4301    1.6815   -0.2839 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3429    2.6832    0.8325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8463    2.1638    2.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6818    1.4953    2.9808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2564    1.0247    4.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0778    1.2357    4.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9070    1.8989    3.6945 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4516    2.3636    2.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3389    0.5856    0.1283 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7085    0.5562   -0.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2307    1.4965   -0.8025 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5279   -0.6477    0.2637 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2382   -1.0021    1.6611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9272   -2.1771    2.2478 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.4134   -2.1334    2.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4757   -3.4863    1.6198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9103   -0.3885   -0.0479 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4807   -0.4631   -1.3585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7041   -0.7580   -2.2972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8986   -0.2035   -1.6164 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.6705   -1.4200   -2.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6238   -2.5076   -1.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6535   -3.5045   -1.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6621   -4.5310   -0.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6458   -4.6108    0.7318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6199   -3.6359    0.7577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5987   -2.6063   -0.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9846    0.7102   -2.7974 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7695    1.8864   -2.6973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3712    2.1157   -1.5935 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9182    2.8375   -3.7931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8788    3.9438   -3.3146 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

PDB for NP0009974 (Nobilamide B)

HEADER    PROTEIN                                 01-JUL-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   01-JUL-21         0                                  
HETATM    1  C   UNK     0      12.662   0.115  -1.730  0.00  0.00           C+0
HETATM    2  C   UNK     0      12.964  -0.149  -0.276  0.00  0.00           C+0
HETATM    3  C   UNK     0      12.242   0.371   0.688  0.00  0.00           C+0
HETATM    4  N   UNK     0      11.146   1.204   0.356  0.00  0.00           N+0
HETATM    5  C   UNK     0       9.811   0.877   0.732  0.00  0.00           C+0
HETATM    6  O   UNK     0       9.637  -0.202   1.393  0.00  0.00           O+0
HETATM    7  C   UNK     0       8.655   1.701   0.399  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.767   3.099   1.003  0.00  0.00           C+0
HETATM    9  N   UNK     0       7.389   1.086   0.826  0.00  0.00           N+0
HETATM   10  C   UNK     0       6.346   0.871  -0.098  0.00  0.00           C+0
HETATM   11  O   UNK     0       6.553   1.231  -1.298  0.00  0.00           O+0
HETATM   12  C   UNK     0       5.074   0.270   0.262  0.00  0.00           C+0
HETATM   13  N   UNK     0       4.206   0.331  -0.949  0.00  0.00           N+0
HETATM   14  C   UNK     0       2.926   0.935  -0.833  0.00  0.00           C+0
HETATM   15  O   UNK     0       2.612   1.377   0.329  0.00  0.00           O+0
HETATM   16  C   UNK     0       1.996   1.067  -1.939  0.00  0.00           C+0
HETATM   17  N   UNK     0       0.776   1.721  -1.470  0.00  0.00           N+0
HETATM   18  C   UNK     0      -0.201   1.032  -0.708  0.00  0.00           C+0
HETATM   19  O   UNK     0       0.007  -0.166  -0.407  0.00  0.00           O+0
HETATM   20  C   UNK     0      -1.430   1.682  -0.284  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.343   2.683   0.833  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.846   2.164   2.117  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.682   1.495   2.981  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.256   1.025   4.190  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.078   1.236   4.551  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.907   1.899   3.695  0.00  0.00           C+0
HETATM   27  C   UNK     0       0.452   2.364   2.483  0.00  0.00           C+0
HETATM   28  N   UNK     0      -2.339   0.586   0.128  0.00  0.00           N+0
HETATM   29  C   UNK     0      -3.708   0.556  -0.179  0.00  0.00           C+0
HETATM   30  O   UNK     0      -4.231   1.496  -0.803  0.00  0.00           O+0
HETATM   31  C   UNK     0      -4.528  -0.648   0.264  0.00  0.00           C+0
HETATM   32  C   UNK     0      -4.238  -1.002   1.661  0.00  0.00           C+0
HETATM   33  C   UNK     0      -4.927  -2.177   2.248  0.00  0.00           C+0
HETATM   34  C   UNK     0      -6.413  -2.133   2.314  0.00  0.00           C+0
HETATM   35  C   UNK     0      -4.476  -3.486   1.620  0.00  0.00           C+0
HETATM   36  N   UNK     0      -5.910  -0.389  -0.048  0.00  0.00           N+0
HETATM   37  C   UNK     0      -6.481  -0.463  -1.359  0.00  0.00           C+0
HETATM   38  O   UNK     0      -5.704  -0.758  -2.297  0.00  0.00           O+0
HETATM   39  C   UNK     0      -7.899  -0.204  -1.616  0.00  0.00           C+0
HETATM   40  C   UNK     0      -8.671  -1.420  -2.108  0.00  0.00           C+0
HETATM   41  C   UNK     0      -8.624  -2.508  -1.140  0.00  0.00           C+0
HETATM   42  C   UNK     0      -7.654  -3.505  -1.143  0.00  0.00           C+0
HETATM   43  C   UNK     0      -7.662  -4.531  -0.232  0.00  0.00           C+0
HETATM   44  C   UNK     0      -8.646  -4.611   0.732  0.00  0.00           C+0
HETATM   45  C   UNK     0      -9.620  -3.636   0.758  0.00  0.00           C+0
HETATM   46  C   UNK     0      -9.599  -2.606  -0.168  0.00  0.00           C+0
HETATM   47  N   UNK     0      -7.985   0.710  -2.797  0.00  0.00           N+0
HETATM   48  C   UNK     0      -8.770   1.886  -2.697  0.00  0.00           C+0
HETATM   49  O   UNK     0      -9.371   2.116  -1.593  0.00  0.00           O+0
HETATM   50  C   UNK     0      -8.918   2.837  -3.793  0.00  0.00           C+0
HETATM   51  C   UNK     0      -9.879   3.944  -3.315  0.00  0.00           C+0
HETATM   52  C   UNK     0       1.715  -0.213  -2.679  0.00  0.00           C+0
HETATM   53  C   UNK     0       0.782  -0.002  -3.835  0.00  0.00           C+0
HETATM   54  O   UNK     0       2.886  -0.807  -3.170  0.00  0.00           O+0
HETATM   55  C   UNK     0       5.116  -1.164   0.721  0.00  0.00           C+0
HETATM   56  C   UNK     0       5.683  -2.117  -0.288  0.00  0.00           C+0
HETATM   57  C   UNK     0       5.799  -1.351   2.038  0.00  0.00           C+0
HETATM   58  C   UNK     0      12.515   0.124   2.114  0.00  0.00           C+0
HETATM   59  O   UNK     0      11.805   0.638   3.003  0.00  0.00           O+0
HETATM   60  O   UNK     0      13.576  -0.695   2.453  0.00  0.00           O+0
HETATM   61  H   UNK     0      11.845  -0.538  -2.077  0.00  0.00           H+0
HETATM   62  H   UNK     0      13.573  -0.013  -2.353  0.00  0.00           H+0
HETATM   63  H   UNK     0      12.341   1.192  -1.771  0.00  0.00           H+0
HETATM   64  H   UNK     0      13.791  -0.780   0.028  0.00  0.00           H+0
HETATM   65  H   UNK     0      11.277   2.090  -0.176  0.00  0.00           H+0
HETATM   66  H   UNK     0       8.564   1.862  -0.696  0.00  0.00           H+0
HETATM   67  H   UNK     0       9.445   3.679   0.336  0.00  0.00           H+0
HETATM   68  H   UNK     0       9.206   3.086   2.023  0.00  0.00           H+0
HETATM   69  H   UNK     0       7.802   3.624   1.050  0.00  0.00           H+0
HETATM   70  H   UNK     0       7.338   0.850   1.818  0.00  0.00           H+0
HETATM   71  H   UNK     0       4.490   0.844   1.042  0.00  0.00           H+0
HETATM   72  H   UNK     0       4.538  -0.055  -1.842  0.00  0.00           H+0
HETATM   73  H   UNK     0       2.448   1.744  -2.717  0.00  0.00           H+0
HETATM   74  H   UNK     0       0.649   2.742  -1.732  0.00  0.00           H+0
HETATM   75  H   UNK     0      -1.948   2.154  -1.143  0.00  0.00           H+0
HETATM   76  H   UNK     0      -0.643   3.490   0.494  0.00  0.00           H+0
HETATM   77  H   UNK     0      -2.311   3.179   1.033  0.00  0.00           H+0
HETATM   78  H   UNK     0      -2.717   1.319   2.725  0.00  0.00           H+0
HETATM   79  H   UNK     0      -1.883   0.486   4.907  0.00  0.00           H+0
HETATM   80  H   UNK     0       0.413   0.858   5.504  0.00  0.00           H+0
HETATM   81  H   UNK     0       1.951   2.066   3.969  0.00  0.00           H+0
HETATM   82  H   UNK     0       1.127   2.900   1.847  0.00  0.00           H+0
HETATM   83  H   UNK     0      -1.895  -0.177   0.661  0.00  0.00           H+0
HETATM   84  H   UNK     0      -4.201  -1.418  -0.484  0.00  0.00           H+0
HETATM   85  H   UNK     0      -3.160  -1.073   1.881  0.00  0.00           H+0
HETATM   86  H   UNK     0      -4.580  -0.115   2.299  0.00  0.00           H+0
HETATM   87  H   UNK     0      -4.564  -2.256   3.318  0.00  0.00           H+0
HETATM   88  H   UNK     0      -6.681  -1.164   2.836  0.00  0.00           H+0
HETATM   89  H   UNK     0      -6.961  -2.297   1.395  0.00  0.00           H+0
HETATM   90  H   UNK     0      -6.702  -2.900   3.110  0.00  0.00           H+0
HETATM   91  H   UNK     0      -4.332  -3.379   0.523  0.00  0.00           H+0
HETATM   92  H   UNK     0      -3.582  -3.909   2.080  0.00  0.00           H+0
HETATM   93  H   UNK     0      -5.309  -4.205   1.755  0.00  0.00           H+0
HETATM   94  H   UNK     0      -6.567  -0.108   0.714  0.00  0.00           H+0
HETATM   95  H   UNK     0      -8.369   0.290  -0.781  0.00  0.00           H+0
HETATM   96  H   UNK     0      -8.211  -1.704  -3.080  0.00  0.00           H+0
HETATM   97  H   UNK     0      -9.722  -1.145  -2.351  0.00  0.00           H+0
HETATM   98  H   UNK     0      -6.873  -3.468  -1.884  0.00  0.00           H+0
HETATM   99  H   UNK     0      -6.906  -5.322  -0.229  0.00  0.00           H+0
HETATM  100  H   UNK     0      -8.630  -5.433   1.443  0.00  0.00           H+0
HETATM  101  H   UNK     0     -10.400  -3.651   1.480  0.00  0.00           H+0
HETATM  102  H   UNK     0     -10.382  -1.846  -0.119  0.00  0.00           H+0
HETATM  103  H   UNK     0      -7.470   0.469  -3.659  0.00  0.00           H+0
HETATM  104  H   UNK     0      -9.413   2.334  -4.679  0.00  0.00           H+0
HETATM  105  H   UNK     0      -7.970   3.307  -4.123  0.00  0.00           H+0
HETATM  106  H   UNK     0     -10.586   3.495  -2.577  0.00  0.00           H+0
HETATM  107  H   UNK     0     -10.420   4.296  -4.216  0.00  0.00           H+0
HETATM  108  H   UNK     0      -9.255   4.751  -2.925  0.00  0.00           H+0
HETATM  109  H   UNK     0       1.295  -0.948  -1.983  0.00  0.00           H+0
HETATM  110  H   UNK     0      -0.109   0.602  -3.604  0.00  0.00           H+0
HETATM  111  H   UNK     0       0.396  -1.003  -4.186  0.00  0.00           H+0
HETATM  112  H   UNK     0       1.345   0.471  -4.675  0.00  0.00           H+0
HETATM  113  H   UNK     0       2.868  -1.777  -3.054  0.00  0.00           H+0
HETATM  114  H   UNK     0       4.042  -1.474   0.867  0.00  0.00           H+0
HETATM  115  H   UNK     0       5.017  -2.347  -1.126  0.00  0.00           H+0
HETATM  116  H   UNK     0       6.700  -1.788  -0.567  0.00  0.00           H+0
HETATM  117  H   UNK     0       5.821  -3.094   0.259  0.00  0.00           H+0
HETATM  118  H   UNK     0       5.598  -0.473   2.707  0.00  0.00           H+0
HETATM  119  H   UNK     0       5.370  -2.271   2.508  0.00  0.00           H+0
HETATM  120  H   UNK     0       6.877  -1.456   1.915  0.00  0.00           H+0
HETATM  121  H   UNK     0      14.550  -0.384   2.477  0.00  0.00           H+0
CONECT    1    2   61   62   63                                             
CONECT    2    1    3   64                                                  
CONECT    3    2    4   58                                                  
CONECT    4    3    5   65                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9   66                                             
CONECT    8    7   67   68   69                                             
CONECT    9    7   10   70                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   55   71                                             
CONECT   13   12   14   72                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   52   73                                             
CONECT   17   16   18   74                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   28   75                                             
CONECT   21   20   22   76   77                                             
CONECT   22   21   23   27                                                  
CONECT   23   22   24   78                                                  
CONECT   24   23   25   79                                                  
CONECT   25   24   26   80                                                  
CONECT   26   25   27   81                                                  
CONECT   27   26   22   82                                                  
CONECT   28   20   29   83                                                  
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   36   84                                             
CONECT   32   31   33   85   86                                             
CONECT   33   32   34   35   87                                             
CONECT   34   33   88   89   90                                             
CONECT   35   33   91   92   93                                             
CONECT   36   31   37   94                                                  
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40   47   95                                             
CONECT   40   39   41   96   97                                             
CONECT   41   40   42   46                                                  
CONECT   42   41   43   98                                                  
CONECT   43   42   44   99                                                  
CONECT   44   43   45  100                                                  
CONECT   45   44   46  101                                                  
CONECT   46   45   41  102                                                  
CONECT   47   39   48  103                                                  
CONECT   48   47   49   50                                                  
CONECT   49   48                                                            
CONECT   50   48   51  104  105                                             
CONECT   51   50  106  107  108                                             
CONECT   52   16   53   54  109                                             
CONECT   53   52  110  111  112                                             
CONECT   54   52  113                                                       
CONECT   55   12   56   57  114                                             
CONECT   56   55  115  116  117                                             
CONECT   57   55  118  119  120                                             
CONECT   58    3   59   60                                                  
CONECT   59   58                                                            
CONECT   60   58  121                                                       
CONECT   61    1                                                            
CONECT   62    1                                                            
CONECT   63    1                                                            
CONECT   64    2                                                            
CONECT   65    4                                                            
CONECT   66    7                                                            
CONECT   67    8                                                            
CONECT   68    8                                                            
CONECT   69    8                                                            
CONECT   70    9                                                            
CONECT   71   12                                                            
CONECT   72   13                                                            
CONECT   73   16                                                            
CONECT   74   17                                                            
CONECT   75   20                                                            
CONECT   76   21                                                            
CONECT   77   21                                                            
CONECT   78   23                                                            
CONECT   79   24                                                            
CONECT   80   25                                                            
CONECT   81   26                                                            
CONECT   82   27                                                            
CONECT   83   28                                                            
CONECT   84   31                                                            
CONECT   85   32                                                            
CONECT   86   32                                                            
CONECT   87   33                                                            
CONECT   88   34                                                            
CONECT   89   34                                                            
CONECT   90   34                                                            
CONECT   91   35                                                            
CONECT   92   35                                                            
CONECT   93   35                                                            
CONECT   94   36                                                            
CONECT   95   39                                                            
CONECT   96   40                                                            
CONECT   97   40                                                            
CONECT   98   42                                                            
CONECT   99   43                                                            
CONECT  100   44                                                            
CONECT  101   45                                                            
CONECT  102   46                                                            
CONECT  103   47                                                            
CONECT  104   50                                                            
CONECT  105   50                                                            
CONECT  106   51                                                            
CONECT  107   51                                                            
CONECT  108   51                                                            
CONECT  109   52                                                            
CONECT  110   53                                                            
CONECT  111   53                                                            
CONECT  112   53                                                            
CONECT  113   54                                                            
CONECT  114   55                                                            
CONECT  115   56                                                            
CONECT  116   56                                                            
CONECT  117   56                                                            
CONECT  118   57                                                            
CONECT  119   57                                                            
CONECT  120   57                                                            
CONECT  121   60                                                            
MASTER        0    0    0    0    0    0    0    0  121    0  244    0
END
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3D PDB for NP0009974 (Nobilamide B)

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SMILES for NP0009974 (Nobilamide B)
[H]OC(=O)C(\N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])[C@]([H])(O[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])=C(/[H])C([H])([H])[H]
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INCHI for NP0009974 (Nobilamide B)
InChI=1S/C43H61N7O10/c1-9-30(43(59)60)46-37(53)26(7)44-41(57)35(25(5)6)49-42(58)36(27(8)51)50-40(56)33(23-29-19-15-12-16-20-29)48-38(54)31(21-24(3)4)47-39(55)32(45-34(52)10-2)22-28-17-13-11-14-18-28/h9,11-20,24-27,31-33,35-36,51H,10,21-23H2,1-8H3,(H,44,57)(H,45,52)(H,46,53)(H,47,55)(H,48,54)(H,49,58)(H,50,56)(H,59,60)/b30-9-/t26-,27+,31+,32-,33-,35-,36+/m0/s1
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View in JSmolView NMR Assignments
Synonyms
ValueSource
(2Z)-2-{[(2S)-2-{[(2S)-2-{[(2R,3R)-1,3-dihydroxy-2-{[(2S)-1-hydroxy-2-{[(2R)-1-hydroxy-2-{[(2S)-1-hydroxy-2-[(1-hydroxypropylidene)amino]-3-phenylpropylidene]amino}-4-methylpentylidene]amino}-3-phenylpropylidene]amino}butylidene]amino}-1-hydroxy-3-methylbutylidene]amino}-1-hydroxypropylidene]amino}but-2-enoateGenerator
Chemical FormulaC43H61N7O10
Average Mass836.0000 Da
Monoisotopic Mass835.44799 Da
IUPAC Name(2Z)-2-[(2S)-2-[(2S)-2-[(2R,3R)-3-hydroxy-2-[(2S)-2-[(2R)-4-methyl-2-[(2S)-3-phenyl-2-propanamidopropanamido]pentanamido]-3-phenylpropanamido]butanamido]-3-methylbutanamido]propanamido]but-2-enoic acid
Traditional Name(2Z)-2-[(2S)-2-[(2S)-2-[(2R,3R)-3-hydroxy-2-[(2S)-2-[(2R)-4-methyl-2-[(2S)-3-phenyl-2-propanamidopropanamido]pentanamido]-3-phenylpropanamido]butanamido]-3-methylbutanamido]propanamido]but-2-enoic acid
CAS Registry NumberNot Available
SMILES
CCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N\C(=C/C)C(O)=O
InChI Identifier
InChI=1S/C43H61N7O10/c1-9-30(43(59)60)46-37(53)26(7)44-41(57)35(25(5)6)49-42(58)36(27(8)51)50-40(56)33(23-29-19-15-12-16-20-29)48-38(54)31(21-24(3)4)47-39(55)32(45-34(52)10-2)22-28-17-13-11-14-18-28/h9,11-20,24-27,31-33,35-36,51H,10,21-23H2,1-8H3,(H,44,57)(H,45,52)(H,46,53)(H,47,55)(H,48,54)(H,49,58)(H,50,56)(H,59,60)/b30-9-/t26-,27+,31+,32-,33-,35-,36+/m0/s1
InChI KeyBIFGNCSVWQWVNT-JCEJUIOTSA-N
Experimental Spectra
Not Available
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 25 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 252 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 50 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 75 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 101 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 176 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 226 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Streptomyces sp. CN48NPAtlas
Chemical Taxonomy
Description Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
KingdomOrganic compounds  
Super ClassOrganic acids and derivatives  
ClassCarboxylic acids and derivatives  
Sub ClassAmino acids, peptides, and analogues  
Direct ParentOligopeptides  
Alternative Parents
Substituents
  • Alpha-oligopeptide
    • 

  • Phenylalanine or derivatives
    • 

  • Leucine or derivatives
    • 

  • Valine or derivatives
    • 

  • N-acyl-alpha-amino acid
    • 

  • N-acyl-alpha amino acid or derivatives
    • 

  • Alpha-amino acid amide
    • 

  • Alanine or derivatives
    • 

  • N-substituted-alpha-amino acid
    • 

  • Alpha-amino acid or derivatives
    • 

  • Amphetamine or derivatives
    • 

  • Fatty amide
    • 

  • N-acyl-amine
    • 

  • Monocyclic benzene moiety
    • 

  • Fatty acyl
    • 

  • Benzenoid
    • 

  • Carboxamide group
    • 

  • Secondary alcohol
    • 

  • Secondary carboxylic acid amide
    • 

  • Carboxylic acid
    • 

  • Monocarboxylic acid or derivatives
    • 

  • Alcohol
    • 

  • Organonitrogen compound
    • 

  • Organooxygen compound
    • 

  • Carbonyl group
    • 

  • Hydrocarbon derivative
    • 

  • Organic oxide
    • 

  • Organopnictogen compound
    • 

  • Organic oxygen compound
    • 

  • Organic nitrogen compound
    • 

  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP2.69ALOGPS
logP1.89ChemAxon
logS-5.2ALOGPS
pKa (Strongest Acidic)3.92ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count9ChemAxon
Polar Surface Area261.23 ŲChemAxon
Rotatable Bond Count23ChemAxon
Refractivity222.31 m³·mol⁻¹ChemAxon
Polarizability89.91 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
NPAtlas IDNPA003055  
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID78440071  
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound139583948  
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Lin Z, Reilly CA, Antemano R, Hughen RW, Marett L, Concepcion GP, Haygood MG, Olivera BM, Light A, Schmidt EW: Nobilamides A-H, long-acting transient receptor potential vanilloid-1 (TRPV1) antagonists from mollusk-associated bacteria. J Med Chem. 2011 Jun 9;54(11):3746-55. doi: 10.1021/jm101621u. Epub 2011 May 16. [PubMed:21524089  ]