BioLiP

PDB

BioLiP

PDB CCD ID:

98K

Number of entries in BioLiP:

Chemical formula:

C7 H5 Cl N2

InChI:

InChI=1S/C7H5ClN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)

InChIKey:

AYPSHJCKSDNETA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1[nH]c2ccccc2n1
OpenEye OEToolkits 2.0.6	c1ccc2c(c1)[nH]c(n2)Cl

Name:

2-chloranyl-1~{H}-benzimidazole

ZINC:

ZINC000000152282

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).