BioLiP

PDB

BioLiP

PDB CCD ID:

SFW

Number of entries in BioLiP:

Chemical formula:

C17 H13 F3 N2

InChI:

InChI=1S/C17H13F3N2/c1-12-7-8-15(14(11-12)17(18,19)20)22-10-9-21-16(22)13-5-3-2-4-6-13/h2-11H,1H3

InChIKey:

UBEVGQDCLDVUPA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1ccc(n2ccnc2c3ccccc3)c(c1)C(F)(F)F
OpenEye OEToolkits 2.0.7	Cc1ccc(c(c1)C(F)(F)F)n2ccnc2c3ccccc3

Name:

1-[4-methyl-2-(trifluoromethyl)phenyl]-2-phenyl-imidazole

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).