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Inhibitor Report for: JF635

Name Class
JF635Type (5)
Other_Name (2)
Chemical_NomenclatureN-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-3',7'-bis(3-fluoroazetidin-1-yl)-5',5'-dimethyl-1-oxospiro[2-benzofuran-3,10'-benzo[b][1]benzosiline]-5-carboxamide
FormulaC39H46ClF2N3O5Si
MW738.3
PaperJonker_2020_J.Cell.Sci_133_
Deo_2021_Nat.Chem.Biol_17_718
Structure6U2M
CommentAzetidine-substituted fluorescent compound ligand of Halo-Tag. Si-rhodamine JF635 JF635-HaloTag ligand
Gene_locusrhoso-halo1
CID147582007
FamilyHaloalkane_dehalogenase-HLD2
InChIKeyFWPLRLFVYPWZHQ-UHFFFAOYSA-N
CanonicalSMILESC[Si]1(C2=C(C=CC(=C2)N3CC(C3)F)C4(C5=C1C=C(C=C5)N6CC(C6)F)C7=C(C=CC(=C7)C(=O)NCCOCCOCCCCCCCl)C(=O)O4)C
InChIInChI=1S/C39H46ClF2N3O5Si/c1-51(2)35-20-29(44-22-27(41)23-44)8-11-32(35)39(33-12-9-30(21-36(33)51)45-24-28(42)25-45)34-19-26(7-10-31(34)38(47)50-39)37(46)43-14-16-49-18-17-48-15-6-4-3-5-13-40/h7-12,19-21,27-28H,3-6,13-18,22-25H2,1-2H3,(H,43,46)

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Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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