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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: 0S0
Number of entries in BioLiP: 1
Chemical formula: C11 H10 N4 O4 S
InChI: InChI=1S/C11H10N4O4S/c12-20(18,19)8-3-1-7(2-4-8)14-15-9-5-6-10(16)13-11(9)17/h1-6H,(H2,12,18,19)(H2,13,16,17)/b15-14+
InChIKey: NVVKOBSVOCFOEN-CCEZHUSRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(ccc1/N=N/C2=CC=C(NC2=O)O)S(=O)(=O)N
CACTVS 3.370N[S](=O)(=O)c1ccc(cc1)N=NC2=CC=C(O)NC2=O
ACDLabs 12.01O=C2C(/N=N/c1ccc(cc1)S(=O)(=O)N)=CC=C(O)N2
OpenEye OEToolkits 1.7.6c1cc(ccc1N=NC2=CC=C(NC2=O)O)S(=O)(=O)N
Name:4-[(E)-(6-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)diazenyl]benzenesulfonamide
ChEMBL: CHEMBL4296952
ZINC: ZINC000100366956

Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).
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