Ligand · R8H
R8H · (2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino) butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide
R8H, (2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino) butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide (C28 H30 N4 O4, 486.6 g/mol), in the MolNFT structures on GenesisL1…
- Component
- R8H
- Formula
- C28 H30 N4 O4
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
R8H in 4 structures; the first of them:
- 7AEH · SARS-CoV-2 main protease in a covalent complex with a pyridine derivative of ABT-957… · R8H A405 · binds THR24, THR25, THR26, HIS41, SER46, PHE140, LEU141, ASN142 and 8 more
- 7QT8 · Room temperature In-situ SARS-CoV-2 MPRO with bound ABT-957 · R8H A401 · binds THR24, THR25, THR26, LEU27, HIS41, SER46, PHE140, LEU141 and 10 more
- 7AEH · SARS-cov-2 main protease in a covalent complex with a pyridine derivative of abt-957… · R8H A405 · binds THR24, THR25, THR26, HIS41, SER46, PHE140, LEU141, ASN142 and 8 more
- 7QT8 · Room temperature in-situ SARS-cov-2 mpro with bound abt-957 · R8H A401 · binds THR24, THR25, THR26, LEU27, HIS41, SER46, PHE140, LEU141 and 10 more
Residues it binds most
HIS 6, THR 6, SER 6, LEU 6, ASN 6, CYS 6, GLU 6, GLY 6, MET 6, PHE 6 (residue and the binding sites it lines).
Found with
- DMS · Dimethyl sulfoxide
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