Ligand · 3IN
3IN · N-[2(S)-cyclopentyl-1(R)-hydroxy-3(r)methyl]-5-[(2(S)-tertiary-butylamino-carbonyl)-4-(N1-(2)-(N-methylpiperazinyl)-3-chloro-pyrazinyl-5-carbonyl)-piperazino]-4(S)-hydroxy-2(R)-phenylmethyl-pentanamide
3IN, N-[2(S)-cyclopentyl-1(R)-hydroxy-3(r)methyl]-5-[(2(S)-tertiary-butylamino-carbonyl)-4-(N1-(2)-(N-methylpiperazinyl)-3-chloro-pyrazinyl-5-carbonyl)-piperazino]-4(S)-hydroxy-2(R)-phenylmethyl-pentanamide (C37 H55 Cl N8 O5, 727.3 g/mol)…
- Component
- 3IN
- Formula
- C37 H55 Cl N8 O5
- Class
- ligand
- Structures
- 6
- PDB entries
- 3
Binding sites
3IN in 6 structures; the first of them:
- 1C6X · Alternate binding site for the P1-P3 group of a class of potent HIV-1 protease inhibitors… · 3IN B622 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 21 more
- 2BPY · HIV-1 protease-inhibitor complex · 3IN B902 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more
- 2BPZ · HIV-1 protease-inhibitor complex · 3IN B902 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more
- 1C6X · Alternate binding site for the P1-P3 group of a class of potent HIV-1 protease inhibitors… · 3IN B622 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 21 more
- 2BPY · HIV-1 protease-inhibitor complex · 3IN B902 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more
- 2BPZ · HIV-1 protease-inhibitor complex · 3IN B902 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more
Residues it binds most
ASP 6, GLY 6, ILE 6, VAL 6, ALA 6, ARG 6, PRO 6, LEU 6, PHE 6, THR 2 (residue and the binding sites it lines).
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