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BioLiP

PDB CCD ID: VU7
Number of entries in BioLiP: 1
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:
SoftwareSMILES
ACDLabs 12.01CONC(=O)c1c(C)c(nc2c1cc(cc2)F)c4ccc(c3c(cccc3)F)cc4
OpenEye OEToolkits 2.0.7Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)F)C(=O)NOC
CACTVS 3.385CONC(=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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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