BioLiP

PDB

BioLiP

PDB CCD ID:

WRM

Number of entries in BioLiP:

Chemical formula:

C10 H11 N3 O

InChI:

InChI=1S/C10H11N3O/c1-11-10(14)6-13-7-12-8-4-2-3-5-9(8)13/h2-5,7H,6H2,1H3,(H,11,14)

InChIKey:

FLYQCADZXXOQSG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CNC(=O)Cn1cnc2ccccc12
ACDLabs 12.01	n1(CC(=O)NC)cnc2ccccc12
OpenEye OEToolkits 2.0.7	CNC(=O)Cn1cnc2c1cccc2

Name:

2-(1H-benzimidazol-1-yl)-N-methylacetamide

ZINC:

ZINC000007454071

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).