BioLiP

PDB

BioLiP

PDB CCD ID:

435

Number of entries in BioLiP:

Chemical formula:

C19 H18 N4 O3 S

InChI:

InChI=1S/C19H18N4O3S/c1-13-11-16(12-14(2)19(13)24)22-21-15-6-8-17(9-7-15)27(25,26)23-18-5-3-4-10-20-18/h3-12,24H,1-2H3,(H,20,23)/b22-21+

InChIKey:

UPZISPNEBVCTRN-QURGRASLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	Cc1cc(cc(c1O)C)/N=N/c2ccc(cc2)S(=O)(=O)Nc3ccccn3
ACDLabs 12.01	O=S(=O)(Nc1ncccc1)c3ccc(/N=N/c2cc(c(O)c(c2)C)C)cc3
OpenEye OEToolkits 1.7.6	Cc1cc(cc(c1O)C)N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3
CACTVS 3.385	Cc1cc(cc(C)c1O)N=Nc2ccc(cc2)[S](=O)(=O)Nc3ccccn3

Name:

4-[(E)-(4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide

ChEMBL:

CHEMBL3087052

ZINC:

ZINC000098208474

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).