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Ligand · 3EM

3EM · N~2~-({[7-(diethylamino)-2-oxo-2H-chromen-4-yl]methoxy}carbonyl)-N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-L-valinamide

3EM, N~2~-({[7-(diethylamino)-2-oxo-2H-chromen-4-yl]methoxy}carbonyl)-N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-L-valinamide (C43 H51 N5 O8 S, 798.0 g/mol), in the MolNFT structures on…

Component
3EM
Formula
C43 H51 N5 O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

3EM in 2 structures; the first of them:

  • 4U7Q · Structure of wild-type HIV protease in complex with photosensitive inhibitor PDI-6 · 3EM B101 · binds ARG8, ASP25, GLY27, ALA28, ASP29, ASP30, ILE47, GLY48 and 20 more
  • 4U7Q · Structure of wild-type HIV protease in complex with photosensitive inhibitor pdi-6 · 3EM B101 · binds ARG8, ASP25, GLY27, ALA28, ASP29, ASP30, ILE47, GLY48 and 20 more

Residues it binds most

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

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