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Ligand · 076

076 · (S)-N-((1R,2S)-1-((2R,3R)-3-benzyloxiran-2-yl)-1-hydroxy-3-phenylpropan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide

076, (S)-N-((1R,2S)-1-((2R,3R)-3-benzyloxiran-2-yl)-1-hydroxy-3-phenylpropan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide (C31 H36 N2 O5, 516.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
076
Formula
C31 H36 N2 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

076 in 2 structures; the first of them:

  • 3TOF · HIV-1 Protease - Epoxydic Inhibitor Complex (pH 6 - Orthorombic Crystal form P212121) · 076 A100 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 15 more
  • 3TOF · HIV-1 protease - epoxydic inhibitor complex (pH 6 - orthorombic crystal form P212121) · 076 A100 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 15 more

Residues it binds most

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

Found with

  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide

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