BioLiP

PDB

BioLiP

PDB CCD ID:

T50

Number of entries in BioLiP:

Chemical formula:

C21 H14 F4 N2

InChI:

InChI=1S/C21H14F4N2/c1-12-5-2-10-18-20(12)26-21(19-16(24)8-4-9-17(19)25)27(18)11-13-14(22)6-3-7-15(13)23/h2-10H,11H2,1H3

InChIKey:

JIYRSPUMGRIYBL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	Cc1cccc2n(Cc3c(F)cccc3F)c(nc12)c4c(F)cccc4F
ACDLabs 10.04	Fc1cccc(F)c1Cn2c4cccc(c4nc2c3c(F)cccc3F)C
OpenEye OEToolkits 1.5.0	Cc1cccc2c1nc(n2Cc3c(cccc3F)F)c4c(cccc4F)F

Name:

1-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)-4-METHYL-1H-BENZIMIDAZOLE

ChEMBL:

CHEMBL293961

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).