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BioLiP

PDB CCD ID: 6QJ
Number of entries in BioLiP: 1
Chemical formula: C19 H14 F N O3
InChI: InChI=1S/C19H14FNO3/c1-11-9-12(6-8-17(11)22)15-3-2-4-16(21-15)19(24)13-5-7-14(20)18(23)10-13/h2-10,22-23H,1H3
InChIKey: QDDLZOOWBSJEFI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5Cc1cc(ccc1O)c2cccc(n2)C(=O)c3ccc(c(c3)O)F
CACTVS 3.385Cc1cc(ccc1O)c2cccc(n2)C(=O)c3ccc(F)c(O)c3
Name:(4-fluoranyl-3-oxidanyl-phenyl)-[6-(3-methyl-4-oxidanyl-phenyl)pyridin-2-yl]methanone
ChEMBL: CHEMBL1928172
ZINC: ZINC000073200418
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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