Ligand · 1IN
1IN · 1-[2-hydroxy-4-(2-hydroxy-5-methyl-cyclopentylcarbamoyl)5-phenyl-pentyl]-4-(3-pyridin-3-yl-propionyl)-piperazine-2-carb oxylic acid tert-butylamide
1IN, 1-[2-hydroxy-4-(2-hydroxy-5-methyl-cyclopentylcarbamoyl)5-phenyl-pentyl]-4-(3-pyridin-3-yl-propionyl)-piperazine-2-carb oxylic acid tert-butylamide (C35 H51 N5 O5, 621.8 g/mol), in the MolNFT structures on GenesisL1: bound in 4…
- Component
- 1IN
- Formula
- C35 H51 N5 O5
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
1IN in 4 structures; the first of them:
- 2BPV · HIV-1 protease-inhibitor complex · 1IN B902 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 21 more
- 2BPW · HIV-1 protease-inhibitor complex · 1IN B902 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 21 more
- 2BPV · HIV-1 protease-inhibitor complex · 1IN B902 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 21 more
- 2BPW · HIV-1 protease-inhibitor complex · 1IN B902 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 21 more
Residues it binds most
ASP 4, GLY 4, ILE 4, VAL 4, ALA 4, LEU 4, PRO 4, ARG 4, PHE 4 (residue and the binding sites it lines).
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