BioLiP

PDB

BioLiP

PDB CCD ID:

KKV

Number of entries in BioLiP:

Chemical formula:

C18 H12 F N O4

InChI:

InChI=1S/C18H12FNO4/c19-13-7-5-11(6-8-13)16-14(9-15(21)17(22)20-16)10-1-3-12(4-2-10)18(23)24/h1-9,21H,(H,20,22)(H,23,24)

InChIKey:

ZTIFGKNOJZNMHX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(ccc1C2=C(NC(=O)C(=C2)O)c3ccc(cc3)F)C(=O)O
CACTVS 3.385	OC(=O)c1ccc(cc1)C2=C(NC(=O)C(=C2)O)c3ccc(F)cc3
ACDLabs 12.01	O=C2C(O)=CC(c1ccc(cc1)C(=O)O)=C(N2)c3ccc(cc3)F

Name:

4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl]benzoic acid

ChEMBL:

CHEMBL4760535

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).