BioLiP

PDB

BioLiP

PDB CCD ID:

QOV

Number of entries in BioLiP:

Chemical formula:

C14 H13 Cl N4 O3 S

InChI:

InChI=1S/C14H13ClN4O3S/c1-9-16-14-11(4-3-7-19(14)17-9)18-23(20,21)13-8-10(15)5-6-12(13)22-2/h3-8,18H,1-2H3

InChIKey:

HLRMNXITZQAUIH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1nc2c(cccn2n1)NS(=O)(=O)c3cc(ccc3OC)Cl
ACDLabs 12.01	n12cccc(c1nc(n2)C)NS(c3c(OC)ccc(Cl)c3)(=O)=O
CACTVS 3.385	COc1ccc(Cl)cc1[S](=O)(=O)Nc2cccn3nc(C)nc23

Name:

5-chloro-2-methoxy-N-(2-methyl[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide

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).