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BioLiP Library

PDB CCD ID: O9Z
Number of entries in BioLiP: 1
Chemical formula: C15 H9 F O4
InChI: InChI=1S/C15H9FO4/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,17-18H
InChIKey: XSYORHATJHJUAA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)F
CACTVS 3.385Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(F)cc3
Name:2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one
ChEMBL: CHEMBL486407
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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