BioLiP

PDB

BioLiP

PDB CCD ID:

1R5

Number of entries in BioLiP:

Chemical formula:

C15 H10 F N O2

InChI:

InChI=1S/C15H10FNO2/c16-12-5-3-9(4-6-12)10-1-2-11-8-14(18)15(19)17-13(11)7-10/h1-8,18H,(H,17,19)

InChIKey:

YFFXAOFQLPIPER-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	OC1=Cc2ccc(cc2NC1=O)c3ccc(F)cc3
OpenEye OEToolkits 1.7.6	c1cc(ccc1c2ccc3c(c2)NC(=O)C(=C3)O)F
ACDLabs 12.01	Fc3ccc(c1ccc2c(c1)NC(=O)C(O)=C2)cc3

Name:

7-(4-fluorophenyl)-3-hydroxyquinolin-2(1H)-one

ChEMBL:

CHEMBL2386739

ZINC:

ZINC000095920752

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).