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Ligand · HUO

HUO · (phenylmethyl) N-[(2S)-1-[[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

HUO, (phenylmethyl) N-[(2S)-1-[[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate…

Component
HUO
Formula
C33 H41 N5 O6 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

HUO in 2 structures; the first of them:

  • 7E19 · Crystal structure of SAR-CoV-2 3CL protease complex with inhibitor SH-5 · HUO A401 · binds THR25, LEU27, HIS41, CYS44, MET49, TYR54, PHE140, LEU141 and 17 more
  • 7E19 · Crystal structure of sar-cov-2 3CL protease complex with inhibitor sh- 5 · HUO A401 · binds THR25, LEU27, HIS41, CYS44, MET49, TYR54, PHE140, LEU141 and 17 more

Residues it binds most

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

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