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Ligand · R6Q

R6Q · 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}-3,1-benzoxazine-4,4'-piperidine]-2-one

R6Q, 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}-3,1-benzoxazine-4,4'-piperidine]-2-one (C21 H21 F3 N2 O2, 390.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
R6Q
Formula
C21 H21 F3 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

R6Q in 2 structures; the first of them:

  • 7ABU · Structure of SARS-CoV-2 Main Protease bound to RS102895 · R6Q A401 · binds ILE213, PRO252, LEU253, GLN256, VAL297, CYS300, SER301
  • 7ABU · Structure of SARS-cov-2 main protease bound to RS102895 · R6Q A401 · binds ILE213, PRO252, LEU253, GLN256, VAL297, CYS300, SER301

Residues it binds most

CYS 2, GLN 2, ILE 2, LEU 2, PRO 2, SER 2, VAL 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • IMD · Imidazole

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