BioLiP

PDB

BioLiP

PDB CCD ID:

RYM

Number of entries in BioLiP:

Chemical formula:

C15 H11 N3

InChI:

InChI=1S/C15H11N3/c16-9-12-5-7-13(8-6-12)10-18-11-17-14-3-1-2-4-15(14)18/h1-8,11H,10H2

InChIKey:

KZMYEQMVROHICO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N#Cc1ccc(Cn2cnc3ccccc23)cc1
OpenEye OEToolkits 2.0.6	c1ccc2c(c1)ncn2Cc3ccc(cc3)C#N

Name:

4-(benzimidazol-1-ylmethyl)benzenecarbonitrile

ZINC:

ZINC000000419911

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).