BioLiP

PDB

BioLiP

PDB CCD ID:

9ME

Number of entries in BioLiP:

Chemical formula:

C16 H10 F N O2

InChI:

InChI=1S/C16H10FNO2/c17-12-7-5-11(9-15(12)19)16(20)14-8-6-10-3-1-2-4-13(10)18-14/h1-9,19H

InChIKey:

JNWWABLECBACFV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc2c(c1)ccc(n2)C(=O)c3ccc(c(c3)O)F
CACTVS 3.385	Oc1cc(ccc1F)C(=O)c2ccc3ccccc3n2

Name:

(4-fluoranyl-3-oxidanyl-phenyl)-quinolin-2-yl-methanone

ChEMBL:

CHEMBL4171902

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).