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BioLiP

PDB CCD ID: KQE
Number of entries in BioLiP: 2
Chemical formula: C18 H11 F3 N4 O
InChI: InChI=1S/C18H11F3N4O/c19-18(20,21)26-14-3-1-2-13(10-14)16-11-23-17-5-4-15(24-25(16)17)12-6-8-22-9-7-12/h1-11H
InChIKey: SFBZOJORTROAIE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385FC(F)(F)Oc1cccc(c1)c2cnc3ccc(nn23)c4ccncc4
OpenEye OEToolkits 2.0.7c1cc(cc(c1)OC(F)(F)F)c2cnc3n2nc(cc3)c4ccncc4
Name:6-pyridin-4-yl-3-[3-(trifluoromethyloxy)phenyl]imidazo[1,2-b]pyridazine
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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