Ligand · A79
A79 · N-{1-benzyl-(2S,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
A79, N-{1-benzyl-(2S,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
- A79
- Formula
- C44 H58 N8 O6
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
A79 in 4 structures; the first of them:
- 1HVC · Crystal structure of a tethered dimer of HIV-1 protease complexed with an inhibitor · A79 A800 · binds ARG8B, LEU23B, ASP25B, GLY27B, ALA28B, ASP29B, ASP30B, VAL32B and 21 more
- 1HVK · Influence of stereochemistry on activity and binding modes for C2 symmetry-based diol… · A79 A800 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
- 1HVC · Crystal structure of a tethered dimer of HIV-1 protease complexed with an inhibitor · A79 A800 · binds ARG8B, LEU23B, ASP25B, GLY27B, ALA28B, ASP29B, ASP30B, VAL32B and 21 more
- 1HVK · Influence of stereochemistry on activity and binding modes for C2 symmetry-based diol… · A79 A800 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
Residues it binds most
GLY 4, ILE 4, ASP 4, VAL 4, ALA 4, ARG 4, LEU 4, PRO 4 (residue and the binding sites it lines).
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