BioLiP

PDB

BioLiP

PDB CCD ID:

VU7

Number of entries in BioLiP:

Chemical formula:

C24 H18 F2 N2 O2

InChI:

InChI=1S/C24H18F2N2O2/c1-14-22(24(29)28-30-2)19-13-17(25)11-12-21(19)27-23(14)16-9-7-15(8-10-16)18-5-3-4-6-20(18)26/h3-13H,1-2H3,(H,28,29)

InChIKey:

XPBXJYBHOVBFDA-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	CONC(=O)c1c(C)c(nc2c1cc(cc2)F)c4ccc(c3c(cccc3)F)cc4
OpenEye OEToolkits 2.0.7	Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)F)C(=O)NOC
CACTVS 3.385	CONC(=O)c1c(C)c(nc2ccc(F)cc12)c3ccc(cc3)c4ccccc4F

Name:

6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-N-methoxy-3-methylquinoline-4-carboxamide

ChEMBL:

CHEMBL4744558

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).