BioLiP

PDB

BioLiP

PDB CCD ID:

QOY

Number of entries in BioLiP:

Chemical formula:

C13 H11 Cl N4 O3 S

InChI:

InChI=1S/C13H11ClN4O3S/c1-21-11-5-4-9(14)7-12(11)22(19,20)17-10-3-2-6-18-13(10)15-8-16-18/h2-8,17H,1H3

InChIKey:

VLSIKQJXWTXQPQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc(Cl)cc1[S](=O)(=O)Nc2cccn3ncnc23
OpenEye OEToolkits 2.0.7	COc1ccc(cc1S(=O)(=O)Nc2cccn3c2ncn3)Cl
ACDLabs 12.01	n21cccc(c1ncn2)NS(=O)(c3c(OC)ccc(Cl)c3)=O

Name:

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

ZINC:

ZINC000097944637

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).