Ligand · A77
A77 · N-{1-benzyl-(2R,3S)-2,3-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
A77, N-{1-benzyl-(2R,3S)-2,3-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 H58 N8 O6, 795.0 g/mol), in the MolNFT structures…
- Component
- A77
- Formula
- C44 H58 N8 O6
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
A77 in 4 structures; the first of them:
- 1HVI · Influence of stereochemistry on activity and binding modes for C2 symmetry-based diol… · A77 A800 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 21 more
- 1HVS · Structural basis of drug resistance for the V82A mutant of HIV-1 protease: backbone… · A77 A800 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 19 more
- 1HVI · Influence of stereochemistry on activity and binding modes for C2 symmetry-based diol… · A77 A800 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 21 more
- 1HVS · Structural basis of drug resistance for the V82A mutant of HIV-1 protease: backbone… · A77 A800 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 19 more
Residues it binds most
GLY 4, ASP 4, ILE 4, VAL 4, ALA 4, ARG 4, PRO 4, LEU 4 (residue and the binding sites it lines).
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