BioLiP

PDB

BioLiP

PDB CCD ID:

N5Z

Number of entries in BioLiP:

Chemical formula:

C18 H15 F N2

InChI:

InChI=1S/C18H15FN2/c19-18-9-7-17(8-10-18)16-5-3-15(4-6-16)2-1-12-21-13-11-20-14-21/h1-11,13-14H,12H2/b2-1+

InChIKey:

RYROXALRVYKQQD-OWOJBTEDSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Fc1ccc(cc1)c2ccc(\C=C\Cn3ccnc3)cc2
OpenEye OEToolkits 2.0.7	c1cc(ccc1/C=C/Cn2ccnc2)c3ccc(cc3)F
CACTVS 3.385	Fc1ccc(cc1)c2ccc(C=CCn3ccnc3)cc2
OpenEye OEToolkits 2.0.7	c1cc(ccc1C=CCn2ccnc2)c3ccc(cc3)F

Name:

1-[(~{E})-3-[4-(4-fluorophenyl)phenyl]prop-2-enyl]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).