BioLiP

PDB

BioLiP

PDB CCD ID:

O6M

Number of entries in BioLiP:

Chemical formula:

C17 H12 N4 O2 S

InChI:

InChI=1S/C17H12N4O2S/c1-11-5-6-15(17-16(11)13(9-19)10-20-17)21-24(22,23)14-4-2-3-12(7-14)8-18/h2-7,10,20-21H,1H3

InChIKey:

LWGUASZLXHYWIV-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c1(cccc(c1)S(Nc2ccc(C)c3c(cnc23)C#N)(=O)=O)C#N
OpenEye OEToolkits 2.0.7	Cc1ccc(c2c1c(c[nH]2)C#N)NS(=O)(=O)c3cccc(c3)C#N
CACTVS 3.385	Cc1ccc(N[S](=O)(=O)c2cccc(c2)C#N)c3[nH]cc(C#N)c13

Name:

3-cyano-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide

ChEMBL:

CHEMBL4297376

DrugBank:

DB12505

ZINC:

ZINC000000008704

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).