BioLiP

PDB

BioLiP

PDB CCD ID:

9MK

Number of entries in BioLiP:

Chemical formula:

C17 H12 F N O2

InChI:

InChI=1S/C17H12FNO2/c1-10-2-6-14-11(8-10)4-7-15(19-14)17(21)12-3-5-13(18)16(20)9-12/h2-9,20H,1H3

InChIKey:

DIBIPWTWYDLKIZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1ccc2nc(ccc2c1)C(=O)c3ccc(F)c(O)c3
OpenEye OEToolkits 2.0.6	Cc1ccc2c(c1)ccc(n2)C(=O)c3ccc(c(c3)O)F

Name:

(4-fluoranyl-3-oxidanyl-phenyl)-(6-methylquinolin-2-yl)methanone

ChEMBL:

CHEMBL4176263

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).