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Ligand · BAY

BAY · N-(1-benzyl-2,3-dihydroxy-4-{3-methyl-2-[2-(2-methyl-propane-2-sulfonylmethyl)-3-naphthalen-1-yl-propionylamino]-butyrylamino}-5-phenyl-pentyl)-3-methyl-2-[2-(2-methyl-propane-2-sulfonylmethyl)-3-naphthalen-1-yl-propionylamino]-butyramide

BAY, N-(1-benzyl-2,3-dihydroxy-4-{3-methyl-2-[2-(2-methyl-propane-2-sulfonylmethyl)-3-naphthalen-1-yl-propionylamino]-butyrylamino}-5-phenyl-pentyl)-3-methyl-2-[2-(2-methyl-propane-2-sulfonylmethyl)-3-naphthalen-1-yl-propionylamino]-butyram…

Component
BAY
Formula
C64 H82 N4 O10 S2
Class
ligand
Structures
4
PDB entries
2

Binding sites

BAY in 4 structures; the first of them:

  • 1VIJ · HIV-1 protease complexed with the inhibitor HOE/BAY 793 hexagonal form · BAY A201 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 26 more
  • 1VIK · HIV-1 protease complexed with the inhibitor HOE/BAY 793 orthorhombic form · BAY B201 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, LYS45 and 27 more
  • 1VIJ · HIV-1 protease complexed with the inhibitor HOE/BAY 793 hexagonal form · BAY A201 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 26 more
  • 1VIK · HIV-1 protease complexed with the inhibitor HOE/BAY 793 orthorhombic form · BAY B201 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, LYS45 and 27 more

Residues it binds most

ASP 4, GLY 4, ILE 4, VAL 4, ALA 4, ARG 4, LEU 4, LYS 4, PRO 4, MET 4 (residue and the binding sites it lines).

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