BioLiP

PDB

BioLiP

PDB CCD ID:

NUQ

Number of entries in BioLiP:

Chemical formula:

C15 H12 F N3 O

InChI:

InChI=1S/C15H12FN3O/c1-19-8-11(4-7-13(19)20)15-14(17-9-18-15)10-2-5-12(16)6-3-10/h2-9H,1H3,(H,17,18)

InChIKey:

QXLXUFQMLZRGPI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN1C=C(C=CC1=O)c2c([nH]cn2)c3ccc(cc3)F
CACTVS 3.385	CN1C=C(C=CC1=O)c2nc[nH]c2c3ccc(F)cc3

Name:

5-[5-(4-fluorophenyl)-1~{H}-imidazol-4-yl]-1-methyl-pyridin-2-one

ChEMBL:

CHEMBL4450089

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).