BioLiP

PDB

BioLiP

PDB CCD ID:

2RE

Number of entries in BioLiP:

Chemical formula:

C20 H14 F N3 O

InChI:

InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)

InChIKey:

QHKYPYXTTXKZST-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1ccc(cc1)c2[nH]c(c3ccncc3)c(n2)c4ccc(F)cc4
OpenEye OEToolkits 1.7.6	c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4)O
ACDLabs 12.01	Fc4ccc(c2nc(c1ccc(O)cc1)nc2c3ccncc3)cc4

Name:

4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl]phenol

ChEMBL:

CHEMBL278041

ZINC:

ZINC000089221712

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).