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Ligand · P8L

P8L · [(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$L^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

P8L, [(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$L^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]…

Component
P8L
Formula
C24 H42 N3 O8 S +1
Class
ligand
Structures
2
PDB entries
2

Binding sites

P8L in 2 structures; the first of them:

  • 8CZT · Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 15D · P8L A401 · binds MET25, HIS41, LEU49, PHE143, LEU144, CYS145, SER147, CYS148 and 11 more
  • 8CZW · Structure of SARS-cov-2 3CL protease in complex with the cyclopropane based inhibitor 15D · P8L A402 · binds HIS41, MET49, PHE140, LEU141, ASN142, SER144, CYS145, HIS163 and 9 more

Residues it binds most

HIS 3, MET 3, CYS 3, GLN 3, LEU 3, ASP 3, GLU 3, PHE 3, SER 3, ALA 2 (residue and the binding sites it lines).

Found with

  • P8U · [(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$L^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
  • PG4 · Tetraethylene glycol

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