BioLiP

PDB

BioLiP

PDB CCD ID:

CL6

Number of entries in BioLiP:

Chemical formula:

C22 H17 Cl N2

InChI:

InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H

InChIKey:

VNFPBHJOKIVQEB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4
ACDLabs 10.04	Clc1ccccc1C(c2ccccc2)(c3ccccc3)n4ccnc4
CACTVS 3.341	Clc1ccccc1C(n2ccnc2)(c3ccccc3)c4ccccc4

Name:

1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE;
CLOTRIMAZOLE

ChEMBL:

CHEMBL104

DrugBank:

DB00257

ZINC:

ZINC000003807804

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).