NP-MRD: Showing NP-Card for Amastatin (NP0021958)

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Record Information

Version

2.0

Created at

2021-01-06 07:11:53 UTC

Updated at

2021-07-15 17:37:45 UTC

NP-MRD ID

NP0021958

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Amastatin

Provided By

NPAtlas

Description

Amastatin belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. Amastatin is found in Streptomyces. Amastatin was first documented in 1978 (PMID: 681249). Based on a literature review very few articles have been published on amastatin (PMID: 18440066) (PMID: 32759368) (PMID: 32609656) (PMID: 31795383) (PMID: 31676291) (PMID: 28701624).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306242105203D          

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M  END

     RDKit          3D

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M  END


  Mrv1652306242105203D          

 71 70  0  0  0  0            999 V2000
    8.2675    0.5365    1.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8356    0.0483    1.5016 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7936   -1.4145    1.8332 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5117    0.4177    0.1002 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1727    0.0414   -0.4102 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8804   -1.3655   -0.4296 N   0  0  2  0  0  0  0  0  0  0  0  0
    4.0468    0.7621    0.3232 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9949    0.2190    1.5780 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8253    0.7231   -0.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7368    1.4210   -1.4948 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7418   -0.1069   -0.1123 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4889   -0.1237   -0.8977 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5923    0.4905   -0.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2553    0.6148    1.1961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8318    0.9285   -0.4876 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0486    1.3611   -0.8885 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1251    0.3790   -0.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8631   -0.7907   -0.5734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1696    0.9307    0.3952 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2939    0.3858    1.0644 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.0541    0.2191    2.5658 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.0047   -0.7651    2.8973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6778   -1.6825    2.0805 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3447   -0.7136    4.1146 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4825    1.2520    0.9251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4774    2.3157    0.2806 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6711    0.8565    1.5462 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4355    1.4268   -2.3331 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8478    1.9996   -2.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4442    0.0977   -3.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2478   -1.4399   -1.5119 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1426   -2.5969   -0.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3539   -1.6116   -2.5809 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5739    1.2999    1.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9228   -0.3543    1.6721 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3745    0.8992    2.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2060    0.5984    2.2499 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8641   -1.6621    2.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9246   -2.0761    0.9685 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6396   -1.7120    2.5319 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6298    1.5396    0.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2945   -0.0881   -0.5439 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1398    0.3678   -1.4889 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5613   -1.7867    0.4407 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5570   -1.9153   -0.9711 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3487    1.8615    0.3664 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5677   -0.6240    1.7079 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8467   -0.7175    0.7145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6712    0.5969   -1.7331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1331    1.2504    0.8032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3826    2.3343   -0.4063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1463    2.0454    0.4750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5573   -0.6252    0.6330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9872   -0.0600    3.0873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7207    1.1991    3.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2280   -1.5370    4.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1450    1.5808    2.1038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7626    2.1062   -2.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8522    3.0599   -2.0866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5907    1.4381   -1.9265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0572    2.0601   -3.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6299   -0.5282   -2.6949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2590    0.3099   -4.1400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4448   -0.3927   -2.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6781   -1.4171   -2.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1467   -2.3960    0.4798 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9820   -3.3154   -0.8497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7922   -3.2129   -0.7831 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2440   -0.7319   -3.2609 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3563   -1.6995   -2.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0948   -2.5116   -3.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 16 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 12 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2 37  1  1  0  0  0
  3 38  1  0  0  0  0
  3 39  1  0  0  0  0
  3 40  1  0  0  0  0
  4 41  1  0  0  0  0
  4 42  1  0  0  0  0
  5 43  1  6  0  0  0
  6 44  1  0  0  0  0
  6 45  1  0  0  0  0
  7 46  1  1  0  0  0
  8 47  1  0  0  0  0
 11 48  1  0  0  0  0
 12 49  1  6  0  0  0
 15 50  1  0  0  0  0
 16 51  1  1  0  0  0
 19 52  1  0  0  0  0
 20 53  1  6  0  0  0
 21 54  1  0  0  0  0
 21 55  1  0  0  0  0
 24 56  1  0  0  0  0
 27 57  1  0  0  0  0
 28 58  1  6  0  0  0
 29 59  1  0  0  0  0
 29 60  1  0  0  0  0
 29 61  1  0  0  0  0
 30 62  1  0  0  0  0
 30 63  1  0  0  0  0
 30 64  1  0  0  0  0
 31 65  1  6  0  0  0
 32 66  1  0  0  0  0
 32 67  1  0  0  0  0
 32 68  1  0  0  0  0
 33 69  1  0  0  0  0
 33 70  1  0  0  0  0
 33 71  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0021958

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C21H38N4O8/c1-9(2)7-12(22)17(28)20(31)25-16(11(5)6)19(30)24-15(10(3)4)18(29)23-13(21(32)33)8-14(26)27/h9-13,15-17,28H,7-8,22H2,1-6H3,(H,23,29)(H,24,30)(H,25,31)(H,26,27)(H,32,33)/t12-,13+,15+,16+,17+/m1/s1

> <INCHI_KEY>
QFAADIRHLBXJJS-ZAZJUGBXSA-N

> <FORMULA>
C21H38N4O8

> <MOLECULAR_WEIGHT>
474.555

> <EXACT_MASS>
474.2689642

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
71

> <JCHEM_AVERAGE_POLARIZABILITY>
49.81551297706916

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-3-amino-2-hydroxy-5-methylhexanamido]-3-methylbutanamido]-3-methylbutanamido]butanedioic acid

> <ALOGPS_LOGP>
-1.51

> <JCHEM_LOGP>
-2.781528134221732

> <ALOGPS_LOGS>
-2.92

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
5.066528844067745

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.2423563150970294

> <JCHEM_PKA_STRONGEST_BASIC>
8.76960026274005

> <JCHEM_POLAR_SURFACE_AREA>
208.14999999999995

> <JCHEM_REFRACTIVITY>
116.0522

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.65e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
amastatin

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 71 70  0  0  0  0  0  0  0  0999 V2000
    8.2675    0.5365    1.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8356    0.0483    1.5016 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7936   -1.4145    1.8332 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5117    0.4177    0.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1727    0.0414   -0.4102 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8804   -1.3655   -0.4296 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0468    0.7621    0.3232 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9949    0.2190    1.5780 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8253    0.7231   -0.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7368    1.4210   -1.4948 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7418   -0.1069   -0.1123 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4889   -0.1237   -0.8977 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5923    0.4905   -0.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2553    0.6148    1.1961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8318    0.9285   -0.4876 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0486    1.3611   -0.8885 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1251    0.3790   -0.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8631   -0.7907   -0.5734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1696    0.9307    0.3952 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2939    0.3858    1.0644 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.0541    0.2191    2.5658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0047   -0.7651    2.8973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6778   -1.6825    2.0805 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3447   -0.7136    4.1146 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4825    1.2520    0.9251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4774    2.3157    0.2806 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6711    0.8565    1.5462 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4355    1.4268   -2.3331 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8478    1.9996   -2.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4442    0.0977   -3.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2478   -1.4399   -1.5119 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1426   -2.5969   -0.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3539   -1.6116   -2.5809 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5739    1.2999    1.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9228   -0.3543    1.6721 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3745    0.8992    2.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2060    0.5984    2.2499 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8641   -1.6621    2.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9246   -2.0761    0.9685 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6396   -1.7120    2.5319 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6298    1.5396    0.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2945   -0.0881   -0.5439 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1398    0.3678   -1.4889 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5613   -1.7867    0.4407 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5570   -1.9153   -0.9711 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3487    1.8615    0.3664 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5677   -0.6240    1.7079 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8467   -0.7175    0.7145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6712    0.5969   -1.7331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1331    1.2504    0.8032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3826    2.3343   -0.4063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1463    2.0454    0.4750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5573   -0.6252    0.6330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9872   -0.0600    3.0873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7207    1.1991    3.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2280   -1.5370    4.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1450    1.5808    2.1038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7626    2.1062   -2.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8522    3.0599   -2.0866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5907    1.4381   -1.9265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0572    2.0601   -3.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6299   -0.5282   -2.6949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2590    0.3099   -4.1400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4448   -0.3927   -2.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6781   -1.4171   -2.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1467   -2.3960    0.4798 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9820   -3.3154   -0.8497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7922   -3.2129   -0.7831 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2440   -0.7319   -3.2609 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3563   -1.6995   -2.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0948   -2.5116   -3.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 20 25  1  0
 25 26  2  0
 25 27  1  0
 16 28  1  0
 28 29  1  0
 28 30  1  0
 12 31  1  0
 31 32  1  0
 31 33  1  0
  1 34  1  0
  1 35  1  0
  1 36  1  0
  2 37  1  1
  3 38  1  0
  3 39  1  0
  3 40  1  0
  4 41  1  0
  4 42  1  0
  5 43  1  6
  6 44  1  0
  6 45  1  0
  7 46  1  1
  8 47  1  0
 11 48  1  0
 12 49  1  6
 15 50  1  0
 16 51  1  1
 19 52  1  0
 20 53  1  6
 21 54  1  0
 21 55  1  0
 24 56  1  0
 27 57  1  0
 28 58  1  6
 29 59  1  0
 29 60  1  0
 29 61  1  0
 30 62  1  0
 30 63  1  0
 30 64  1  0
 31 65  1  6
 32 66  1  0
 32 67  1  0
 32 68  1  0
 33 69  1  0
 33 70  1  0
 33 71  1  0
M  END

HEADER    PROTEIN                                 24-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-JUN-21         0                                  
HETATM    1  C   UNK     0       8.268   0.537   1.754  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.836   0.048   1.502  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.794  -1.415   1.833  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.512   0.418   0.100  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.173   0.041  -0.410  0.00  0.00           C+0
HETATM    6  N   UNK     0       4.880  -1.365  -0.430  0.00  0.00           N+0
HETATM    7  C   UNK     0       4.047   0.762   0.323  0.00  0.00           C+0
HETATM    8  O   UNK     0       3.995   0.219   1.578  0.00  0.00           O+0
HETATM    9  C   UNK     0       2.825   0.723  -0.481  0.00  0.00           C+0
HETATM   10  O   UNK     0       2.737   1.421  -1.495  0.00  0.00           O+0
HETATM   11  N   UNK     0       1.742  -0.107  -0.112  0.00  0.00           N+0
HETATM   12  C   UNK     0       0.489  -0.124  -0.898  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.592   0.491  -0.068  0.00  0.00           C+0
HETATM   14  O   UNK     0      -0.255   0.615   1.196  0.00  0.00           O+0
HETATM   15  N   UNK     0      -1.832   0.929  -0.488  0.00  0.00           N+0
HETATM   16  C   UNK     0      -3.049   1.361  -0.889  0.00  0.00           C+0
HETATM   17  C   UNK     0      -4.125   0.379  -0.311  0.00  0.00           C+0
HETATM   18  O   UNK     0      -3.863  -0.791  -0.573  0.00  0.00           O+0
HETATM   19  N   UNK     0      -5.170   0.931   0.395  0.00  0.00           N+0
HETATM   20  C   UNK     0      -6.294   0.386   1.064  0.00  0.00           C+0
HETATM   21  C   UNK     0      -6.054   0.219   2.566  0.00  0.00           C+0
HETATM   22  C   UNK     0      -5.005  -0.765   2.897  0.00  0.00           C+0
HETATM   23  O   UNK     0      -4.678  -1.683   2.080  0.00  0.00           O+0
HETATM   24  O   UNK     0      -4.345  -0.714   4.115  0.00  0.00           O+0
HETATM   25  C   UNK     0      -7.482   1.252   0.925  0.00  0.00           C+0
HETATM   26  O   UNK     0      -7.477   2.316   0.281  0.00  0.00           O+0
HETATM   27  O   UNK     0      -8.671   0.857   1.546  0.00  0.00           O+0
HETATM   28  C   UNK     0      -3.436   1.427  -2.333  0.00  0.00           C+0
HETATM   29  C   UNK     0      -4.848   2.000  -2.473  0.00  0.00           C+0
HETATM   30  C   UNK     0      -3.444   0.098  -3.051  0.00  0.00           C+0
HETATM   31  C   UNK     0       0.248  -1.440  -1.512  0.00  0.00           C+0
HETATM   32  C   UNK     0       0.143  -2.597  -0.588  0.00  0.00           C+0
HETATM   33  C   UNK     0       1.354  -1.612  -2.581  0.00  0.00           C+0
HETATM   34  H   UNK     0       8.574   1.300   1.007  0.00  0.00           H+0
HETATM   35  H   UNK     0       8.923  -0.354   1.672  0.00  0.00           H+0
HETATM   36  H   UNK     0       8.374   0.899   2.803  0.00  0.00           H+0
HETATM   37  H   UNK     0       6.206   0.598   2.250  0.00  0.00           H+0
HETATM   38  H   UNK     0       5.864  -1.662   2.430  0.00  0.00           H+0
HETATM   39  H   UNK     0       6.925  -2.076   0.969  0.00  0.00           H+0
HETATM   40  H   UNK     0       7.640  -1.712   2.532  0.00  0.00           H+0
HETATM   41  H   UNK     0       6.630   1.540   0.003  0.00  0.00           H+0
HETATM   42  H   UNK     0       7.295  -0.088  -0.544  0.00  0.00           H+0
HETATM   43  H   UNK     0       5.140   0.368  -1.489  0.00  0.00           H+0
HETATM   44  H   UNK     0       4.561  -1.787   0.441  0.00  0.00           H+0
HETATM   45  H   UNK     0       5.557  -1.915  -0.971  0.00  0.00           H+0
HETATM   46  H   UNK     0       4.349   1.861   0.366  0.00  0.00           H+0
HETATM   47  H   UNK     0       3.568  -0.624   1.708  0.00  0.00           H+0
HETATM   48  H   UNK     0       1.847  -0.718   0.715  0.00  0.00           H+0
HETATM   49  H   UNK     0       0.671   0.597  -1.733  0.00  0.00           H+0
HETATM   50  H   UNK     0      -2.133   1.250   0.803  0.00  0.00           H+0
HETATM   51  H   UNK     0      -3.383   2.334  -0.406  0.00  0.00           H+0
HETATM   52  H   UNK     0      -5.146   2.045   0.475  0.00  0.00           H+0
HETATM   53  H   UNK     0      -6.557  -0.625   0.633  0.00  0.00           H+0
HETATM   54  H   UNK     0      -6.987  -0.060   3.087  0.00  0.00           H+0
HETATM   55  H   UNK     0      -5.721   1.199   3.004  0.00  0.00           H+0
HETATM   56  H   UNK     0      -4.228  -1.537   4.674  0.00  0.00           H+0
HETATM   57  H   UNK     0      -9.145   1.581   2.104  0.00  0.00           H+0
HETATM   58  H   UNK     0      -2.763   2.106  -2.875  0.00  0.00           H+0
HETATM   59  H   UNK     0      -4.852   3.060  -2.087  0.00  0.00           H+0
HETATM   60  H   UNK     0      -5.591   1.438  -1.927  0.00  0.00           H+0
HETATM   61  H   UNK     0      -5.057   2.060  -3.560  0.00  0.00           H+0
HETATM   62  H   UNK     0      -2.630  -0.528  -2.695  0.00  0.00           H+0
HETATM   63  H   UNK     0      -3.259   0.310  -4.140  0.00  0.00           H+0
HETATM   64  H   UNK     0      -4.445  -0.393  -2.911  0.00  0.00           H+0
HETATM   65  H   UNK     0      -0.678  -1.417  -2.121  0.00  0.00           H+0
HETATM   66  H   UNK     0       0.147  -2.396   0.480  0.00  0.00           H+0
HETATM   67  H   UNK     0       0.982  -3.315  -0.850  0.00  0.00           H+0
HETATM   68  H   UNK     0      -0.792  -3.213  -0.783  0.00  0.00           H+0
HETATM   69  H   UNK     0       1.244  -0.732  -3.261  0.00  0.00           H+0
HETATM   70  H   UNK     0       2.356  -1.700  -2.113  0.00  0.00           H+0
HETATM   71  H   UNK     0       1.095  -2.512  -3.153  0.00  0.00           H+0
CONECT    1    2   34   35   36                                             
CONECT    2    1    3    4   37                                             
CONECT    3    2   38   39   40                                             
CONECT    4    2    5   41   42                                             
CONECT    5    4    6    7   43                                             
CONECT    6    5   44   45                                                  
CONECT    7    5    8    9   46                                             
CONECT    8    7   47                                                       
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   48                                                  
CONECT   12   11   13   31   49                                             
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   50                                                  
CONECT   16   15   17   28   51                                             
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   52                                                  
CONECT   20   19   21   25   53                                             
CONECT   21   20   22   54   55                                             
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   56                                                       
CONECT   25   20   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   57                                                       
CONECT   28   16   29   30   58                                             
CONECT   29   28   59   60   61                                             
CONECT   30   28   62   63   64                                             
CONECT   31   12   32   33   65                                             
CONECT   32   31   66   67   68                                             
CONECT   33   31   69   70   71                                             
CONECT   34    1                                                            
CONECT   35    1                                                            
CONECT   36    1                                                            
CONECT   37    2                                                            
CONECT   38    3                                                            
CONECT   39    3                                                            
CONECT   40    3                                                            
CONECT   41    4                                                            
CONECT   42    4                                                            
CONECT   43    5                                                            
CONECT   44    6                                                            
CONECT   45    6                                                            
CONECT   46    7                                                            
CONECT   47    8                                                            
CONECT   48   11                                                            
CONECT   49   12                                                            
CONECT   50   15                                                            
CONECT   51   16                                                            
CONECT   52   19                                                            
CONECT   53   20                                                            
CONECT   54   21                                                            
CONECT   55   21                                                            
CONECT   56   24                                                            
CONECT   57   27                                                            
CONECT   58   28                                                            
CONECT   59   29                                                            
CONECT   60   29                                                            
CONECT   61   29                                                            
CONECT   62   30                                                            
CONECT   63   30                                                            
CONECT   64   30                                                            
CONECT   65   31                                                            
CONECT   66   32                                                            
CONECT   67   32                                                            
CONECT   68   32                                                            
CONECT   69   33                                                            
CONECT   70   33                                                            
CONECT   71   33                                                            
MASTER        0    0    0    0    0    0    0    0   71    0  140    0
END

RDKit          3D

71 70  0  0  0  0  0  0  0  0999 V2000
    8.2675    0.5365    1.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8356    0.0483    1.5016 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7936   -1.4145    1.8332 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5117    0.4177    0.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1727    0.0414   -0.4102 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8804   -1.3655   -0.4296 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0468    0.7621    0.3232 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9949    0.2190    1.5780 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8253    0.7231   -0.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7368    1.4210   -1.4948 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7418   -0.1069   -0.1123 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4889   -0.1237   -0.8977 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5923    0.4905   -0.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2553    0.6148    1.1961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8318    0.9285   -0.4876 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0486    1.3611   -0.8885 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -6.2939    0.3858    1.0644 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.0541    0.2191    2.5658 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3539   -1.6116   -2.5809 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8641   -1.6621    2.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9246   -2.0761    0.9685 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6396   -1.7120    2.5319 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6298    1.5396    0.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2945   -0.0881   -0.5439 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5613   -1.7867    0.4407 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8467   -0.7175    0.7145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6712    0.5969   -1.7331 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2590    0.3099   -4.1400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4448   -0.3927   -2.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6781   -1.4171   -2.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1467   -2.3960    0.4798 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9820   -3.3154   -0.8497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7922   -3.2129   -0.7831 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3563   -1.6995   -2.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0948   -2.5116   -3.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
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 16 28  1  0
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 28 30  1  0
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 31 32  1  0
 31 33  1  0
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  2 37  1  1
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  6 45  1  0
  7 46  1  1
  8 47  1  0
 11 48  1  0
 12 49  1  6
 15 50  1  0
 16 51  1  1
 19 52  1  0
 20 53  1  6
 21 54  1  0
 21 55  1  0
 24 56  1  0
 27 57  1  0
 28 58  1  6
 29 59  1  0
 29 60  1  0
 29 61  1  0
 30 62  1  0
 30 63  1  0
 30 64  1  0
 31 65  1  6
 32 66  1  0
 32 67  1  0
 32 68  1  0
 33 69  1  0
 33 70  1  0
 33 71  1  0
M  END

View in JSmol View NMR Assignments

Synonyms

Value	Source
Leu[1psi,CHOHCONH]valvalasp	ChEBI
3-Amino-2-hydroxy-5-methylhexanoyl-L-valyl-L-valyl-L-aspartic acid	MeSH
3-Amino-2-hydroxy-5-methylhexanoyl-val-val-asp	MeSH

Chemical Formula

C₂₁H₃₈N₄O₈

Average Mass

474.5550 Da

Monoisotopic Mass

474.26896 Da

IUPAC Name

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-3-amino-2-hydroxy-5-methylhexanamido]-3-methylbutanamido]-3-methylbutanamido]butanedioic acid

Traditional Name

amastatin

CAS Registry Number

Not Available

SMILES

CC(C)C[C@@H](N)[C@H](O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O

InChI Identifier

InChI=1S/C21H38N4O8/c1-9(2)7-12(22)17(28)20(31)25-16(11(5)6)19(30)24-15(10(3)4)18(29)23-13(21(32)33)8-14(26)27/h9-13,15-17,28H,7-8,22H2,1-6H3,(H,23,29)(H,24,30)(H,25,31)(H,26,27)(H,32,33)/t12-,13+,15+,16+,17+/m1/s1

InChI Key

QFAADIRHLBXJJS-ZAZJUGBXSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Streptomyces	NPAtlas	681249

Species Where Detected

Species Name	Source	Reference
Streptomyces sp. ME98-M3	KNApSAcK Database	22123792

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Peptidomimetics

Sub Class

Hybrid peptides

Direct Parent

Hybrid peptides

Alternative Parents

Substituents

Hybrid peptide
Aspartic acid or derivatives
Valine or derivatives
N-acyl-l-alpha-amino acid
N-acyl-alpha-amino acid
Acyl-l-homoserine
Acyl-homoserine
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Beta amino acid or derivatives
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Branched fatty acid
Hydroxy fatty acid
Dicarboxylic acid or derivatives
Fatty amide
Fatty acyl
Monosaccharide
N-acyl-amine
Fatty acid
Secondary alcohol
Secondary carboxylic acid amide
Amino acid or derivatives
Amino acid
Carboxamide group
Carboxylic acid derivative
Carboxylic acid
Organopnictogen compound
Alcohol
Hydrocarbon derivative
Carbonyl group
Organic nitrogen compound
Organic oxide
Primary aliphatic amine
Amine
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Primary amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

tetrapeptide (CHEBI:2624 )

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-1.5	ALOGPS
logP	-2.8	ChemAxon
logS	-2.9	ALOGPS
pKa (Strongest Acidic)	3.24	ChemAxon
pKa (Strongest Basic)	8.77	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	208.15 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	116.05 m³·mol⁻¹	ChemAxon
Polarizability	49.82 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

NPAtlas ID

NPA021104

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00018188

Chemspider ID

388612

KEGG Compound ID

C01552

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Amastatin

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

2624

Good Scents ID

Not Available

References

General References

Aoyagi T, Tobe H, Kojima F, Hamada M, Takeuchi T, Umezawa H: Amastatin, an inhibitor of aminopeptidase A, produced by actinomycetes. J Antibiot (Tokyo). 1978 Jun;31(6):636-8. doi: 10.7164/antibiotics.31.636. [PubMed:681249 ]
Tan-No K, Shimoda M, Sugawara M, Nakagawasai O, Niijima F, Watanabe H, Furuta S, Sato T, Satoh S, Arai Y, Kotlinska J, Silberring J, Terenius L, Tadano T: Cysteine protease inhibitors suppress the development of tolerance to morphine antinociception. Neuropeptides. 2008 Jun;42(3):239-44. doi: 10.1016/j.npep.2008.03.003. Epub 2008 Apr 25. [PubMed:18440066 ]
Kan T, Yoshikawa M, Watanabe M, Miura M, Ito K, Matsuda M, Iwao K, Kobayashi H, Suzuki T, Suzuki T: Sialorphin Potentiates Effects of [Met(5)]Enkephalin without Toxicity by Action other than Peptidase Inhibition. J Pharmacol Exp Ther. 2020 Oct;375(1):104-114. doi: 10.1124/jpet.120.266080. Epub 2020 Aug 5. [PubMed:32759368 ]
Pascual Alonso I, Rivera Mendez L, Valdes-Tresanco ME, Bounaadja L, Schmitt M, Arrebola Sanchez Y, Alvarez Lajonchere L, Charli JL, Florent I: Biochemical evidences for M1-, M17- and M18-like aminopeptidases in marine invertebrates from Cuban coastline. Z Naturforsch C J Biosci. 2020 Nov 26;75(11-12):397-407. doi: 10.1515/znc-2019-0169. [PubMed:32609656 ]
Ferreira GM, Kronenberger T, de Almeida EC, Sampaio J, Terra CF, Pinto E, Trossini GHG: Inhibition of Porcine Aminopeptidase M (pAMP) by the Pentapeptide Microginins. Molecules. 2019 Nov 29;24(23). pii: molecules24234369. doi: 10.3390/molecules24234369. [PubMed:31795383 ]
Bhat SY, Qureshi IA: Mutations of key substrate binding residues of leishmanial peptidase T alter its functional and structural dynamics. Biochim Biophys Acta Gen Subj. 2020 Jan;1864(1):129465. doi: 10.1016/j.bbagen.2019.129465. Epub 2019 Oct 30. [PubMed:31676291 ]
Li Q, Jia H, Cao S, Zhang Z, Zheng J, Zhang Y: Biochemical characterization of aminopeptidase N2 from Toxoplasma gondii. J Vet Med Sci. 2017 Aug 18;79(8):1404-1411. doi: 10.1292/jvms.17-0119. Epub 2017 Jul 13. [PubMed:28701624 ]
Nakamura T, Yamazato M, Ishida A, Ohya Y: Excess of Aminopeptidase A in the Brain Elevates Blood Pressure via the Angiotensin II Type 1 and Bradykinin B2 Receptors without Dipsogenic Effect. Int J Hypertens. 2017;2017:3967595. doi: 10.1155/2017/3967595. Epub 2017 Mar 22. [PubMed:28421141 ]
Munkhjargal T, Ishizaki T, Guswanto A, Takemae H, Yokoyama N, Igarashi I: Molecular and biochemical characterization of methionine aminopeptidase of Babesia bovis as a potent drug target. Vet Parasitol. 2016 May 15;221:14-23. doi: 10.1016/j.vetpar.2016.02.024. Epub 2016 Feb 27. [PubMed:27084466 ]
Jin X, Ray R, Ray P: Sulfur mustard-stimulated proteases and their inhibitors in a cultured normal human epidermal keratinocytes model: A potential approach for anti-vesicant drug development. Toxicol Rep. 2016 Mar 15;3:393-400. doi: 10.1016/j.toxrep.2016.03.007. eCollection 2016. [PubMed:28959561 ]

Showing NP-Card for Amastatin (NP0021958)

MOL for NP0021958 (Amastatin)

3D MOL for NP0021958 (Amastatin)

3D SDF for NP0021958 (Amastatin)

3D-SDF for NP0021958 (Amastatin)

PDB for NP0021958 (Amastatin)

3D PDB for NP0021958 (Amastatin)

SMILES for NP0021958 (Amastatin)

INCHI for NP0021958 (Amastatin)

Structure for NP0021958 (Amastatin)

3D Structure for NP0021958 (Amastatin)