Ligand · IRK
IRK · (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
IRK, (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid (C21 H37 N3 O8 S, 491.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…
- Component
- IRK
- Formula
- C21 H37 N3 O8 S
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
IRK in 2 structures; the first of them:
- 7TQ8 · Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 14d · IRK A401 · binds HIS41, LEU49, TYR54, PHE143, LEU144, CYS145, SER147, CYS148 and 10 more
- 7TQ8 · Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 14D · IRK A401 · binds HIS41, LEU49, PHE143, LEU144, CYS145, SER147, CYS148, HIS166 and 9 more
Residues it binds most
HIS 2, CYS 2, GLN 2, LEU 2, ASP 2, GLU 2, LYS 2, MET 2, PHE 2, SER 2 (residue and the binding sites it lines).
Found with
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