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Ligand · H63

H63 · (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide

H63, (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide (C22 H29 N3 O4, 399.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
H63
Formula
C22 H29 N3 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

H63 in 2 structures; the first of them:

  • 7DGG · The co-crystal structure of SARS-CoV-2 main protease with… · H63 A600 · binds HIS41, CYS44, MET49, TYR54, PHE140, LEU141, ASN142, GLY143 and 13 more
  • 7DGG · The co-crystal structure of SARS-cov-2 main protease with (S)-2… · H63 A600 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 10 more

Residues it binds most

HIS 4, MET 4, CYS 4, LEU 4, ALA 4, ASN 4, GLN 4, GLU 4, GLY 4, PHE 4 (residue and the binding sites it lines).

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