BioLiP

PDB

BioLiP

PDB CCD ID:

0S0

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cc(ccc1/N=N/C2=CC=C(NC2=O)O)S(=O)(=O)N
CACTVS 3.370	N[S](=O)(=O)c1ccc(cc1)N=NC2=CC=C(O)NC2=O
ACDLabs 12.01	O=C2C(/N=N/c1ccc(cc1)S(=O)(=O)N)=CC=C(O)N2
OpenEye OEToolkits 1.7.6	c1cc(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, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

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).