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Ligand · 39F

39F · trans-N-{(1S)-1-[4-(3-amino-2H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexane-1-carboxamide

39F, trans-N-{(1S)-1-[4-(3-amino-2H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexane-1-carboxamide (C26 H30 Cl N7 O, 492.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
39F
Formula
C26 H30 Cl N7 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

39F in 2 structures; the first of them:

  • 4TY7 · Factor XIa in complex with the inhibitor (2S)-6-amino-N-{(1S)-1-[4-(3-amino-2H-indazol-6-y… · 39F A301 · binds ARG39, HIS40, LEU41, CYS42, HIS57, CYS58, TYR143, ILE151 and 14 more
  • 4TY7 · Factor xia in complex with the inhibitor (2S)-6-amino-N-{(1S)-1-[4-(3… · 39F A301 · binds ARG39, HIS40, LEU41, CYS42, HIS57, CYS58, TYR143, ILE151 and 14 more

Residues it binds most

CYS 2, GLY 2, ASP 2, HIS 2, SER 2, ALA 2, ARG 2, ILE 2, LEU 2, LYS 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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