BioLiP

PDB

BioLiP

PDB CCD ID:

A2W

Number of entries in BioLiP:

Chemical formula:

C19 H15 F N4

InChI:

InChI=1S/C19H15FN4/c20-17-8-6-15(7-9-17)19-16(12-23-11-10-21-14-23)13-24(22-19)18-4-2-1-3-5-18/h1-11,13-14H,12H2

InChIKey:

KWPMFVYWNXVKNC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)F)Cn4ccnc4
CACTVS 3.385	Fc1ccc(cc1)c2nn(cc2Cn3ccnc3)c4ccccc4

Name:

3-(4-fluorophenyl)-4-(imidazol-1-ylmethyl)-1-phenyl-pyrazole

ChEMBL:

CHEMBL4087790

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).