BioLiP

PDB

BioLiP

PDB CCD ID:

AQF

Number of entries in BioLiP:

Chemical formula:

C8 H7 Cl N2

InChI:

InChI=1S/C8H7ClN2/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,10,11)

InChIKey:

SPMLMLQATWNZEE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)[nH]c(n2)CCl
CACTVS 3.385	ClCc1[nH]c2ccccc2n1
ACDLabs 12.01	ClCc1nc2ccccc2[NH]1

Name:

2-(chloromethyl)-1H-benzimidazole

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).