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Ligand · 3VM

3VM · trans-N-{(1S)-1-[4-(3-amino-2H-indazol-6-yl)pyridin-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexanecarboxamide

3VM, trans-N-{(1S)-1-[4-(3-amino-2H-indazol-6-yl)pyridin-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexanecarboxamide (C28 H32 N6 O, 468.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
3VM
Formula
C28 H32 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

3VM in 2 structures; the first of them:

  • 4WXI · FACTOR XIA IN COMPLEX WITH THE INHIBITOR trans-N-{(1S)-1-[4-(3-amino-2H-indazol-6-yl)pyrid… · 3VM A301 · binds ARG39, HIS40, LEU41, CYS42, HIS57, CYS58, TYR143, ILE151 and 14 more
  • 4WXI · Factor xia in complex with the inhibitor trans-N-{(1S)-1-[4-(3-amino… · 3VM 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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