Ligand · IT3
IT3 · (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
IT3, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2R)-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
- IT3
- Formula
- C21 H37 N3 O8 S
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
IT3 in 2 structures; the first of them:
- 7TQ6 · Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 13d · IT3 A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 13 more
- 7TQ6 · Structure of SARS-cov-2 3CL protease in complex with the cyclopropane based inhibitor 13D · IT3 A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 13 more
Residues it binds most
HIS 4, MET 4, LEU 4, ARG 4, ASN 4, ASP 4, CYS 4, GLN 4, GLU 4, GLY 4 (residue and the binding sites it lines).
Found with
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