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Ligand · 39D

39D · 4-{2-[(1S)-1-({[trans-4-(aminomethyl)cyclohexyl]carbonyl}amino)-2-phenylethyl]-1H-imidazol-4-yl}benzamide

39D, 4-{2-[(1S)-1-({[trans-4-(aminomethyl)cyclohexyl]carbonyl}amino)-2-phenylethyl]-1H-imidazol-4-yl}benzamide (C26 H31 N5 O2, 445.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
39D
Formula
C26 H31 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

39D in 2 structures; the first of them:

  • 4TY6 · Factor XIa in complex with the inhibitor 4-{2-[(1S)-1-({[trans-4-(aminomethyl)cyclohexyl]c… · 39D A301 · binds ARG39, HIS40, LEU41, CYS42, HIS57, CYS58, TYR143, ILE151 and 14 more
  • 4TY6 · Factor xia in complex with the inhibitor 4-{2-[(1S)-1-({[trans-4… · 39D 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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