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Showing NP-Card for sulfamethoxazole (NP0267013)

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Record Information
Version2.0
Created at2022-09-08 11:39:16 UTC
Updated at2022-09-08 11:39:16 UTC
NP-MRD IDNP0267013
Secondary Accession NumbersNone
Natural Product Identification
Common Namesulfamethoxazole
DescriptionSulfamethoxazole, also known as gantanol or SMX, belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring. Sulfamethoxazole is a moderately basic compound (based on its pKa). sulfamethoxazole is found in Apis cerana. sulfamethoxazole was first documented in 2000 (PMID: 10843725). An isoxazole (1,2-oxazole) compound having a methyl substituent at the 5-position and a 4-aminobenzenesulfonamido group at the 3-position.
Structure
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MOL3D MOLSDFPDBSMILESInChI

MOL for NP0267013 (sulfamethoxazole)

1015
  Mrv0541 02231215102D          

 17 18  0  0  0  0            999 V2000
    2.4751    0.6631    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0828    2.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.6631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3001    0.6631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751    1.4882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2758    2.7212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -2.6369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -0.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606   -0.5744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -0.5744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -1.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606   -1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9433    1.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4953    2.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3158    2.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2  6  1  0  0  0  0
  2 16  1  0  0  0  0
  5 11  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
Download

3D MOL for NP0267013 (sulfamethoxazole)

     RDKit          3D

 28 29  0  0  0  0  0  0  0  0999 V2000
    3.7634    0.8076    2.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2245   -0.3505    1.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2362   -0.3078    0.4576 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9920   -1.5784    0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0969   -2.0666   -0.9718 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0170   -1.0491   -1.8292 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.8286    0.0433   -2.5152 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6975   -1.8006   -2.9258 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1421   -0.2390   -0.8166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0013    1.0829   -0.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9212    1.6961    0.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0236    1.0092    0.8265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9728    1.6436    1.6573 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1635   -0.3216    0.4621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2479   -0.9261   -0.3366 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8689   -2.3477    0.7353 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5531   -1.5916    1.5317 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6733    1.7581    1.5365 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8653    0.7205    2.3381 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.0107    3.0711 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7386    0.5831    0.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0796   -3.1179   -1.1998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1386    1.6646   -0.8245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8247    2.7456    0.6448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6800    2.4370    2.2533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9525    1.3194    1.6713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0310   -0.8564    0.8401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3358   -1.9685   -0.6360 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  2  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
  4 16  2  0
 16 17  1  0
 17  2  1  0
 15  9  1  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  3 21  1  0
  5 22  1  0
 10 23  1  0
 11 24  1  0
 13 25  1  0
 13 26  1  0
 14 27  1  0
 15 28  1  0
M  END
Download

3D SDF for NP0267013 (sulfamethoxazole)

1015
  Mrv0541 02231215102D          

 17 18  0  0  0  0            999 V2000
    2.4751    0.6631    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0828    2.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.6631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3001    0.6631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751    1.4882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2758    2.7212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -2.6369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -0.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606   -0.5744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -0.5744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -1.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606   -1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9433    1.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4953    2.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3158    2.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2  6  1  0  0  0  0
  2 16  1  0  0  0  0
  5 11  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0267013

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=CC(NS(=O)(=O)C2=CC=C(N)C=C2)=NO1

> <INCHI_IDENTIFIER>
InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)

> <INCHI_KEY>
JLKIGFTWXXRPMT-UHFFFAOYSA-N

> <FORMULA>
C10H11N3O3S

> <MOLECULAR_WEIGHT>
253.278

> <EXACT_MASS>
253.052111923

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
24.986434544882528

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzene-1-sulfonamide

> <ALOGPS_LOGP>
0.79

> <JCHEM_LOGP>
0.7905493986666665

> <ALOGPS_LOGS>
-2.74

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.160732172136757

> <JCHEM_PKA_STRONGEST_BASIC>
1.9717778683222775

> <JCHEM_POLAR_SURFACE_AREA>
98.22

> <JCHEM_REFRACTIVITY>
64.4958

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.59e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sulfamethoxazole

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for NP0267013 (sulfamethoxazole)

Download
PDB for NP0267013 (sulfamethoxazole)
HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 1015                                              
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  S   UNK     0       4.620   1.238   0.000  0.00  0.00           S+0
HETATM    2  O   UNK     0       7.621   5.400   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0       3.080   1.238   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       6.160   1.238   0.000  0.00  0.00           O+0
HETATM    5  N   UNK     0       4.620   2.778   0.000  0.00  0.00           N+0
HETATM    6  N   UNK     0       6.115   5.080   0.000  0.00  0.00           N+0
HETATM    7  N   UNK     0       4.620  -4.922   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       4.620  -0.302   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.286  -1.072   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.954  -1.072   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.954   3.548   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.620  -3.382   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.286  -2.612   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.954  -2.612   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.361   2.922   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.391   4.066   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.923   3.905   0.000  0.00  0.00           C+0
CONECT    1    3    4    5    8                                             
CONECT    2    6   16                                                       
CONECT    3    1                                                            
CONECT    4    1                                                            
CONECT    5    1   11                                                       
CONECT    6    2   11                                                       
CONECT    7   12                                                            
CONECT    8    1    9   10                                                  
CONECT    9    8   13                                                       
CONECT   10    8   14                                                       
CONECT   11    5    6   15                                                  
CONECT   12    7   13   14                                                  
CONECT   13    9   12                                                       
CONECT   14   10   12                                                       
CONECT   15   11   16                                                       
CONECT   16    2   15   17                                                  
CONECT   17   16                                                            
MASTER        0    0    0    0    0    0    0    0   17    0   36    0
END

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3D PDB for NP0267013 (sulfamethoxazole)
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SMILES for NP0267013 (sulfamethoxazole)
CC1=CC(NS(=O)(=O)C2=CC=C(N)C=C2)=NO1
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INCHI for NP0267013 (sulfamethoxazole)
InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
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View in JSmol
Synonyms
ValueSource
3-(p-Aminophenylsulfonamido)-5-methylisoxazoleChEBI
3-Sulfanilamido-5-methylisoxazoleChEBI
4-Amino-N-(5-methyl-3-isoxazolyl)benzenesulfonamideChEBI
GantanolChEBI
SMXChEBI
SulphamethoxazoleChEBI
3-(p-Aminophenylsulphonamido)-5-methylisoxazoleGenerator
3-Sulphanilamido-5-methylisoxazoleGenerator
4-Amino-N-(5-methyl-3-isoxazolyl)benzenesulphonamideGenerator
3-(p-Aminobenzenesulfonamido)-5-methylisoxazoleHMDB
3-(Para-aminophenylsulphonamido)-5-methylisoxazoleHMDB
4-Amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamideHMDB
4-Amino-N-(5-methyl-3-isoxazolyl)-benzenesulfonamideHMDB
5-Methyl-3-sulfanilamidoisoxazoleHMDB
5-Methyl-3-sulfanylamidoisoxazoleHMDB
5-Methyl-3-sulfonylamidoisoxazoleHMDB
5-Methyl-3-sulphanil-amidoisoxazoleHMDB
Azo-gantanolHMDB
BactrimHMDB
MetoxalHMDB
N'-(5-methyl-3-isoxazole)sulfanilamideHMDB
N'-(5-methyl-3-isoxazolyl)-sulfanilamideHMDB
N'-(5-methyl-3-isoxazolyl)sulfanilamideHMDB
N'-(5-methylisoxazol-3-yl)sulphanilamideHMDB
N1-(5-Methyl-3-isoxazolyl)-sulfanilamideHMDB
N1-(5-Methyl-3-isoxazolyl)sulfanilamideHMDB
N1-(5-Methyl-3-isoxazolyl)sulphanilamideHMDB
Ndimethyl1-(5-methyl-3-isoxazolyl)-sulfanilamideHMDB
N^1-(5-methyl-3-isoxazolyl)-sulfanilamideHMDB
RadonilHMDB
SimsinominHMDB
SinominHMDB
SulfamethalazoleHMDB
SulfamethoxazolHMDB
Sulfamethoxazole(usan)HMDB
SulfamethylisoxazoleHMDB
SulfisomezoleHMDB
Sulpha-methoxizoleHMDB
SulphamethoxazolHMDB
SulphamethylisoxazoleHMDB
SulphisomezoleHMDB
Chemical FormulaC10H11N3O3S
Average Mass253.2780 Da
Monoisotopic Mass253.05211 Da
IUPAC Name4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzene-1-sulfonamide
Traditional Namesulfamethoxazole
CAS Registry NumberNot Available
SMILES
CC1=CC(NS(=O)(=O)C2=CC=C(N)C=C2)=NO1
InChI Identifier
InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
InChI KeyJLKIGFTWXXRPMT-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 25 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 100 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 252 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 50 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 75 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 101 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 176 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 226 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Apis ceranaLOTUS Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.
KingdomOrganic compounds  
Super ClassBenzenoids  
ClassBenzene and substituted derivatives  
Sub ClassBenzenesulfonamides  
Direct ParentAminobenzenesulfonamides  
Alternative Parents
Substituents
  • Aminobenzenesulfonamide
    • 

  • Benzenesulfonyl group
    • 

  • Aniline or substituted anilines
    • 

  • Organosulfonic acid amide
    • 

  • Imidolactam
    • 

  • Azole
    • 

  • Isoxazole
    • 

  • Organic sulfonic acid or derivatives
    • 

  • Organosulfonic acid or derivatives
    • 

  • Sulfonyl
    • 

  • Aminosulfonyl compound
    • 

  • Heteroaromatic compound
    • 

  • Organoheterocyclic compound
    • 

  • Azacycle
    • 

  • Oxacycle
    • 

  • Organonitrogen compound
    • 

  • Organic nitrogen compound
    • 

  • Organic oxygen compound
    • 

  • Amine
    • 

  • Primary amine
    • 

  • Organosulfur compound
    • 

  • Organopnictogen compound
    • 

  • Organic oxide
    • 

  • Organooxygen compound
    • 

  • Hydrocarbon derivative
    • 

  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
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
logP0.79ALOGPS
logP0.79ChemAxon
logS-2.7ALOGPS
pKa (Strongest Acidic)6.16ChemAxon
pKa (Strongest Basic)1.97ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area98.22 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity64.5 m³·mol⁻¹ChemAxon
Polarizability24.99 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0015150  
DrugBank IDDB01015  
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID5138  
KEGG Compound IDC07315  
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkSulfamethoxazole  
METLIN IDNot Available
PubChem Compound5329  
PDB ID08D  
ChEBI ID9332  
Good Scents IDNot Available
References
General References
  1. Schnyder B, Burkhart C, Schnyder-Frutig K, von Greyerz S, Naisbitt DJ, Pirmohamed M, Park BK, Pichler WJ: Recognition of sulfamethoxazole and its reactive metabolites by drug-specific CD4+ T cells from allergic individuals. J Immunol. 2000 Jun 15;164(12):6647-54. doi: 10.4049/jimmunol.164.12.6647. [PubMed:10843725  ] 
  2. LOTUS database [Link]