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Ligand · 3US

3US · N-[4-(acetylamino)butyl]-5'-[(3-{[(4-tert-butylphenyl) carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine

3US, N-[4-(acetylamino)butyl]-5'-[(3-{[(4-tert-butylphenyl) carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine (C33 H51 N9 O5, 653.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
3US
Formula
C33 H51 N9 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

3US in 2 structures; the first of them:

  • 4WVL · Structure-Guided DOT1L Probe Optimization by Label-Free Ligand Displacement · 3US A401 · binds VAL144, MET147, ASP161, LEU162, GLY163, SER164, GLY165, GLN168 and 20 more
  • 4WVL · Structure-guided DOT1L probe optimization by label-free ligand displacement · 3US A401 · binds VAL144, MET147, ASP161, LEU162, GLY163, SER164, GLY165, GLN168 and 20 more

Residues it binds most

VAL 2, GLY 2, PHE 2, SER 2, ALA 2, ASP 2, LEU 2, ASN 2, GLN 2, GLU 2 (residue and the binding sites it lines).

Found with

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

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