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BioLiP

PDB CCD ID: L93
Number of entries in BioLiP: 1
Chemical formula: C20 H19 F N2 O4
InChI: InChI=1S/C20H19FN2O4/c1-12(27-18-6-4-3-5-17(18)26-2)11-22-20(25)15-10-19(24)23-16-8-7-13(21)9-14(15)16/h3-10,12H,11H2,1-2H3,(H,22,25)(H,23,24)/t12-/m1/s1
InChIKey: LZQQUMOUOYPMFQ-GFCCVEGCSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(CNC(=O)C1=CC(=O)Nc2c1cc(cc2)F)Oc3ccccc3OC
ACDLabs 12.01COc1ccccc1OC(C)CNC(=O)C1=CC(=O)Nc2ccc(F)cc21
OpenEye OEToolkits 2.0.7C[C@H](CNC(=O)C1=CC(=O)Nc2c1cc(cc2)F)Oc3ccccc3OC
CACTVS 3.385COc1ccccc1O[CH](C)CNC(=O)C2=CC(=O)Nc3ccc(F)cc23
CACTVS 3.385COc1ccccc1O[C@H](C)CNC(=O)C2=CC(=O)Nc3ccc(F)cc23
Name:6-fluoro-N-[(2R)-2-(2-methoxyphenoxy)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
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).
  • 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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