Ligand · I1Z
I1Z · (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
I1Z, (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (C26 H44 N6 O4, 504.7 g/mol), in the MolNFT structures on…
- Component
- I1Z
- Formula
- C26 H44 N6 O4
- Class
- ligand
- Structures
- 3
- PDB entries
- 2
Binding sites
I1Z in 3 structures; the first of them:
- 7TEH · Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with… · I1Z A401 · binds HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 12 more
- 8IFQ · SARS-CoV-2 3CL protease (3CLpro) in complex with compound 2 · I1Z A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 14 more
- 7TEH · Room temperature X-ray structure of SARS-cov-2 main protease (3CL mpro) in complex with… · I1Z A401 · binds HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 12 more
Residues it binds most
HIS 3, GLN 3, LEU 3, MET 3, ARG 3, ASN 3, ASP 3, CYS 3, GLU 3, GLY 3 (residue and the binding sites it lines).
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