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BioLiP

PDB CCD ID: 9MB
Number of entries in BioLiP: 1
Chemical formula: C17 H11 F2 N O3
InChI: InChI=1S/C17H11F2NO3/c18-12-8-7-10(9-15(12)22)23-16-6-2-4-13(20-16)11-3-1-5-14(21)17(11)19/h1-9,21-22H
InChIKey: URNXTVXZHNOBRL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(c(c(c1)O)F)c2cccc(n2)Oc3ccc(c(c3)O)F
CACTVS 3.385Oc1cc(Oc2cccc(n2)c3cccc(O)c3F)ccc1F
Name:2-fluoranyl-3-[6-(4-fluoranyl-3-oxidanyl-phenoxy)pyridin-2-yl]phenol
ChEMBL: CHEMBL4171183
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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