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Ligand · S8E

S8E · 5-[[(2-bromoethylamino)-(ethylamino) phosphoryl]oxymethyl]-1-methyl-~{N},~{N}-bis(oxidanyl)imidazol-2-amine

S8E, 5-[[(2-bromoethylamino)-(ethylamino) phosphoryl]oxymethyl]-1-methyl-~{N},~{N}-bis(oxidanyl)imidazol-2-amine (C9 H19 Br N5 O4 P, 372.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
S8E
Formula
C9 H19 Br N5 O4 P
Class
ligand
Structures
2
PDB entries
1

Binding sites

S8E in 2 structures; the first of them:

  • 7AWS · Structure of SARS-CoV-2 Main Protease bound to TH-302. · S8E A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 9 more
  • 7AWS · Structure of SARS-cov-2 main protease bound to th-302. · S8E 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

  • CL · Chloride ion
  • DMS · Dimethyl sulfoxide

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