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BioLiP Library

PDB CCD ID: 7G2
Number of entries in BioLiP: 3
Chemical formula: C13 H10 F N O3
InChI: InChI=1S/C13H10FNO3/c14-11-6-9(2-4-13(11)17)8-1-3-12(16)10(5-8)7-15-18/h1-7,16-18H/b15-7+
InChIKey: ZDSSMGFPICRDHW-VIZOYTHASA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Oc1c(cc(cc1)c2ccc(c(c2)\C=N\O)O)F
CACTVS 3.385ON=Cc1cc(ccc1O)c2ccc(O)c(F)c2
CACTVS 3.385O/N=C/c1cc(ccc1O)c2ccc(O)c(F)c2
OpenEye OEToolkits 2.0.6c1cc(c(cc1c2ccc(c(c2)F)O)/C=N/O)O
OpenEye OEToolkits 2.0.6c1cc(c(cc1c2ccc(c(c2)F)O)C=NO)O
Name:3-fluoro-3'-[(E)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol
ChEMBL: CHEMBL475278
ZINC: ZINC000040935964
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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