Ligand · I12
I12 · N-[(5-methylisoxazol-3-yl)carbonyl]-L-alanyl-L-valyl-N~1~-((1S)-4-ethoxy-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-L-leucinamide
I12, N-[(5-methylisoxazol-3-yl)carbonyl]-L-alanyl-L-valyl-N~1~-((1S)-4-ethoxy-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-L-leucinamide (C30 H46 N6 O8, 618.7 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2…
- Component
- I12
- Formula
- C30 H46 N6 O8
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
I12 in 4 structures; the first of them:
- 1WOF · Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor N1 · I12 A1145 · binds THR25, THR26, LEU27, HIS41, MET49, TYR54, PHE140, LEU141 and 17 more
- 2AMP · Crystal Structure Of Porcine Transmissible Gastroenteritis Virus Mpro in Complex with an… · I12 A1001 · binds VAL26, HIS41, THR47, THR48, ILE51, TYR53, PHE139, ILE140 and 17 more
- 1WOF · Crystal structure of SARS-cov mpro in complex with an inhibitor N1 · I12 A1145 · binds THR25, THR26, LEU27, HIS41, MET49, TYR54, PHE140, LEU141 and 17 more
- 2AMP · Crystal structure of porcine transmissible gastroenteritis virus mpro in complex with an… · I12 A1001 · binds VAL26, HIS41, THR47, THR48, ILE51, TYR53, PHE139, ILE140 and 17 more
Residues it binds most
HIS 8, LEU 8, THR 8, GLN 8, GLY 8, MET 8, PRO 8, ALA 8, ASP 8, CYS 8 (residue and the binding sites it lines).
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