Ligand · I69
I69 · (6S)-5-{(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-5-azaspiro[2.4]heptane-6-carboxamide (non-preferred name)
I69, (6S)-5-{(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-5-azaspiro[2.4]heptane-6-carboxamide (non-preferred name) (C25 H43 N5 O5, 493.6 g/mol), in the MolNFT…
- Component
- I69
- Formula
- C25 H43 N5 O5
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
I69 in 2 structures; the first of them:
- 7S73 · Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI37 · I69 A401 · binds HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 12 more
- 7S73 · Structure of the SARS-cov-2 main protease in complex with inhibitor MPI37 · I69 A401 · binds HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 12 more
Residues it binds most
HIS 2, GLN 2, LEU 2, MET 2, ARG 2, ASN 2, ASP 2, CYS 2, GLU 2, GLY 2 (residue and the binding sites it lines).
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