Ligand · I65
I65 · benzyl [(2S,3R)-1-({(2S)-1-[2-(3-amino-3-oxopropyl)-2-propanoylhydrazinyl]-3-cyclohexyl-1-oxopropan-2-yl}amino)-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name)
I65, benzyl [(2S,3R)-1-({(2S)-1-[2-(3-amino-3-oxopropyl)-2-propanoylhydrazinyl]-3-cyclohexyl-1-oxopropan-2-yl}amino)-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name) (C31 H49 N5 O7, 603.8 g/mol), in the MolNFT structures on…
- Component
- I65
- Formula
- C31 H49 N5 O7
- Class
- ligand
- Structures
- 1
- PDB entries
- 1
Binding sites
I65 in 1 structure; the first of them:
- 7UUE · Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI85 · I65 A401 · binds HIS41, TYR54, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 13 more
Residues it binds most
HIS 1, GLN 1, LEU 1, ALA 1, ARG 1, ASN 1, ASP 1, CYS 1, GLU 1, GLY 1 (residue and the binding sites it lines).
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