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Ligand · 3EN

3EN · N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-L-valinamide

3EN, N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-L-valinamide (C28 H36 N4 O4 S, 524.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
3EN
Formula
C28 H36 N4 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

3EN in 2 structures; the first of them:

  • 4U7V · Structure of wild-type HIV protease in complex with degraded photosensitive inhibitor · 3EN B101 · binds ASP25, GLY27, ALA28, ASP30, VAL32, ILE47, GLY48, GLY49 and 16 more
  • 4U7V · Structure of wild-type HIV protease in complex with degraded photosensitive inhibitor · 3EN B101 · binds ASP25, GLY27, ALA28, ASP30, VAL32, ILE47, GLY48, GLY49 and 16 more

Residues it binds most

GLY 2, ILE 2, ASP 2, VAL 2, ALA 2, PRO 2 (residue and the binding sites it lines).

Found with

  • BME · Beta-mercaptoethanol

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