BioLiP

PDB

BioLiP

PDB CCD ID:

A1BUR

Number of entries in BioLiP:

Chemical formula:

C10 H12 N2 O3 S

InChI:

InChI=1S/C10H12N2O3S/c1-16(14,15)10-11-8-4-2-3-5-9(8)12(10)6-7-13/h2-5,13H,6-7H2,1H3

InChIKey:

QRLLHFOSHXFKSX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[S](=O)(=O)c1nc2ccccc2n1CCO
ACDLabs 14.52 OpenEye OEToolkits 3.1.0.0	CS(=O)(=O)c1nc2ccccc2n1CCO

Name:

2-[2-(methanesulfonyl)-1H-1,3-benzimidazol-1-yl]ethan-1-ol

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).