BioLiP

PDB

BioLiP

PDB CCD ID:

EHW

Number of entries in BioLiP:

Chemical formula:

C18 H15 F N4 O

InChI:

InChI=1S/C18H15FN4O/c1-10-16(11(2)24-22-10)17-18(23(3)9-21-17)14-6-7-20-15-8-12(19)4-5-13(14)15/h4-9H,1-3H3

InChIKey:

FOQLCYIBXICLES-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cn1cnc(c1c2ccnc3cc(F)ccc23)c4c(C)onc4C
OpenEye OEToolkits 2.0.6	Cc1c(c(on1)C)c2c(n(cn2)C)c3ccnc4c3ccc(c4)F

Name:

4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-1,2-oxazole

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).