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Ligand · W48

W48 · (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-[(3R)-2-oxo-2, 3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid

W48, (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-[(3R)-2-oxo-2, 3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid (C24 H32 Cl N3 O8 S, 558.0 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
W48
Formula
C24 H32 Cl N3 O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

W48 in 2 structures; the first of them:

  • 7TIV · Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB48 · W48 A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 9 more
  • 7TIV · Crystal structure of SARS-cov-2 3CL in complex with inhibitor EB48 · W48 A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 9 more

Residues it binds most

HIS 2, MET 2, ARG 2, ASN 2, ASP 2, CYS 2, GLN 2, GLU 2, GLY 2, LEU 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion

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