BioLiP

PDB

BioLiP

PDB CCD ID:

V1K

Number of entries in BioLiP:

Chemical formula:

C15 H13 Cl N2 O3 S

InChI:

InChI=1S/C15H13ClN2O3S/c1-10-3-6-12(7-4-10)22(19,20)18-14-9-11(21-2)5-8-13(14)17-15(18)16/h3-9H,1-2H3

InChIKey:

WYUZKMIXXDZEOS-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc2nc(Cl)n(c2c1)[S](=O)(=O)c3ccc(C)cc3
OpenEye OEToolkits 2.0.7	Cc1ccc(cc1)S(=O)(=O)n2c3cc(ccc3nc2Cl)OC

Name:

2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole

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).