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Ligand · A85

A85 · N-{1-benzyl-2,2-difluoro-3,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide

A85, N-{1-benzyl-2,2-difluoro-3,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide (C44 H56 F2 N8 O6, 831.0 g/mol), in the MolNFT…

Component
A85
Formula
C44 H56 F2 N8 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

A85 in 2 structures; the first of them:

  • 1DIF · HIV-1 protease in complex with a difluoroketone containing inhibitor A79285 · A85 B101 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 1DIF · HIV-1 protease in complex with a difluoroketone containing inhibitor A79285 · A85 B101 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more

Residues it binds most

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

Found with

  • BME · Beta-mercaptoethanol

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