BioLiP

PDB

BioLiP

PDB CCD ID:

AXV

Number of entries in BioLiP:

Chemical formula:

C8 H6 N4

InChI:

InChI=1S/C8H6N4/c9-5-10-8-11-6-3-1-2-4-7(6)12-8/h1-4H,(H2,10,11,12)

InChIKey:

NYLIXUBOFQIMGV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N#CNc1[nH]c2ccccc2n1
OpenEye OEToolkits 2.0.6	c1ccc2c(c1)[nH]c(n2)NC#N

Name:

1~{H}-benzimidazol-2-ylcyanamide

ZINC:

ZINC000000394716

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).