BioLiP

PDB

BioLiP

PDB CCD ID:

WBD

Number of entries in BioLiP:

Chemical formula:

C7 H4 Cl2 N2

InChI:

InChI=1S/C7H4Cl2N2/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H,10,11)

InChIKey:

LLIARSREYVCQHL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1[nH]c2ccc(Cl)cc2n1
OpenEye OEToolkits 2.0.7	c1cc2c(cc1Cl)nc([nH]2)Cl
ACDLabs 12.01	c21c(nc(Cl)n1)ccc(c2)Cl

Name:

2,5-dichloro-1H-benzimidazole

ZINC:

ZINC000005462529

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).