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Ligand · R7Q

R7Q · 2-methyl-1-(4-methylphenyl)propan-1-one

R7Q, 2-methyl-1-(4-methylphenyl)propan-1-one (C11 H14 O, 162.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
R7Q
Formula
C11 H14 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

R7Q in 2 structures; the first of them:

  • 7ADW · Structure of SARS-CoV-2 Main Protease bound to 2,4'-Dimethylpropiophe . · R7Q A504 · binds HIS41, PHE140, LEU141, ASN142, SER144, CYS145, HIS163, HIS164 and 2 more
  • 7ADW · Structure of SARS-cov-2 main protease bound to 2,4'- dimethylpropiophenone. · R7Q A504 · binds HIS41, PHE140, LEU141, ASN142, SER144, CYS145, HIS163, HIS164 and 2 more

Residues it binds most

HIS 2, ASN 2, CYS 2, GLU 2, LEU 2, MET 2, PHE 2, SER 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • DMS · Dimethyl sulfoxide
  • IMD · Imidazole

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