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BioLiP

PDB CCD ID: 1ZQ
Number of entries in BioLiP: 1
Chemical formula: C17 H11 F2 N O2
InChI: InChI=1S/C17H11F2NO2/c18-12-5-1-10(2-6-12)14-9-15(21)17(22)20-16(14)11-3-7-13(19)8-4-11/h1-9,21H,(H,20,22)
InChIKey: CIZBXDSIEHHRKM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1cc(c2ccc(F)cc2)c(nc1O)c3ccc(F)cc3
ACDLabs 12.01Fc3ccc(c2nc(O)c(O)cc2c1ccc(F)cc1)cc3
OpenEye OEToolkits 1.7.6c1cc(ccc1c2cc(c(nc2c3ccc(cc3)F)O)O)F
Name:5,6-bis(4-fluorophenyl)pyridine-2,3-diol
ChEMBL: CHEMBL2443233
ZINC: ZINC000095920749
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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