BioLiP

PDB

BioLiP

PDB CCD ID:

4WA

Number of entries in BioLiP:

Chemical formula:

C12 H12 N4 O2 S

InChI:

InChI=1S/C12H12N4O2S/c13-9-1-3-10(4-2-9)15-16-11-5-7-12(8-6-11)19(14,17)18/h1-8H,13H2,(H2,14,17,18)/b16-15+

InChIKey:

JSHXITVMUADQEA-FOCLMDBBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1cc(ccc1N)N=Nc2ccc(cc2)S(=O)(=O)N
ACDLabs 12.01	O=S(=O)(N)c1ccc(cc1)\N=N\c2ccc(N)cc2
CACTVS 3.385	Nc1ccc(cc1)N=Nc2ccc(cc2)[S](N)(=O)=O

Name:

4-[(E)-(4-aminophenyl)diazenyl]benzenesulfonamide

ChEMBL:

CHEMBL16909

ZINC:

ZINC000005933303

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).