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BioLiP

PDB CCD ID: 9JW
Number of entries in BioLiP: 1
Chemical formula: C19 H13 F2 N O2
InChI: InChI=1S/C19H13F2NO2/c1-11(12-8-9-14(20)18(24)10-12)15-5-3-6-16(22-15)13-4-2-7-17(23)19(13)21/h2-10,23-24H,1H2
InChIKey: LSHVGZUGKOCADJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C=C(c1ccc(c(c1)O)F)c2cccc(n2)c3cccc(c3F)O
CACTVS 3.385Oc1cc(ccc1F)C(=C)c2cccc(n2)c3cccc(O)c3F
Name:2-fluoranyl-3-[6-[1-(4-fluoranyl-3-oxidanyl-phenyl)ethenyl]pyridin-2-yl]phenol
ChEMBL: CHEMBL4175585
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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