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BioLiP

PDB CCD ID: LQ3
Number of entries in BioLiP: 4
Chemical formula: C6 H5 F2 N O2
InChI: InChI=1S/C6H5F2NO2/c7-6(8)11-4-1-2-5(10)9-3-4/h1-4,6H/t4-/m0/s1
InChIKey: LTVXNUWMTTYHRL-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385FC(F)O[C@H]1C=CC(=O)N=C1
ACDLabs 12.01O=C1C=CC(OC(F)F)C=N1
OpenEye OEToolkits 2.0.7C1=CC(=O)N=CC1OC(F)F
CACTVS 3.385FC(F)O[CH]1C=CC(=O)N=C1
Name:(5S)-5-(difluoromethoxy)pyridin-2(5H)-one
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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