Ligand · 378
378 · methyl ~{N}-[(2~{S})-3,3-dimethyl-1-[2-[(4~{R})-5-[[(2~{S})-3-methyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-[(4-prop-2-enylphenyl)methyl]pentyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate
378, methyl ~{N}-[(2~{S})-3,3-dimethyl-1-[2-[(4~{R})-5-[[(2~{S})-3-methyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-[(4-prop-2-enylphenyl)methyl]pentyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1…
- Component
- 378
- Formula
- C42 H57 N5 O6 S
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
378 in 2 structures; the first of them:
- 4CPR · Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary… · 378 A1101 · binds ARG8, ASP25, GLY27, ALA28, ASP29, ASP30, ILE47, GLY48 and 20 more
- 4CPR · Macrocyclic transition-state mimicking HIV-1 protease inhibitors encompassing a tertiary… · 378 A1101 · binds ARG8, ASP25, GLY27, ALA28, ASP29, ASP30, ILE47, GLY48 and 20 more
Residues it binds most
ASP 2, GLY 2, ILE 2, ALA 2, ARG 2, PRO 2, THR 2, VAL 2, LEU 2, PHE 2 (residue and the binding sites it lines).
Found with
- CL · Chloride ion
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