Ligand · 4W8
4W8 · (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
4W8, (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (C32 H35 N5 O5 S, 601.7 g/mol), in the MolNFT…
- Component
- 4W8
- Formula
- C32 H35 N5 O5 S
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
4W8 in 2 structures; the first of them:
- 7RFR · Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor · 4W8 A9001 · binds THR25, LEU27, HIS41, CYS44, SER46, MET49, TYR54, PHE140 and 17 more
- 7RFR · Structure of SARS-cov-2 main protease in complex with a covalent inhibitor · 4W8 A9001 · binds THR25, LEU27, HIS41, CYS44, SER46, MET49, TYR54, PHE140 and 17 more
Residues it binds most
HIS 4, LEU 4, CYS 4, MET 4, SER 4, THR 4, ARG 4, ASN 4, ASP 4, GLN 4 (residue and the binding sites it lines).
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