BioLiP

PDB

BioLiP

PDB CCD ID:

09T

Number of entries in BioLiP:

Chemical formula:

C16 H14 Cl2 N2

InChI:

InChI=1S/C16H14Cl2N2/c1-10-5-15-16(6-11(10)2)20(9-19-15)8-12-3-4-13(17)14(18)7-12/h3-7,9H,8H2,1-2H3

InChIKey:

PCJBTWVYIQBUCM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	Cc1cc2c(cc1C)n(cn2)Cc3ccc(c(c3)Cl)Cl
CACTVS 3.370	Cc1cc2ncn(Cc3ccc(Cl)c(Cl)c3)c2cc1C
ACDLabs 12.01	Clc1ccc(cc1Cl)Cn2c3cc(c(cc3nc2)C)C

Name:

1-(3,4-dichlorobenzyl)-5,6-dimethyl-1H-benzimidazole

ChEMBL:

CHEMBL1945507

ZINC:

ZINC000004747684

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).