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Ligand · V18

V18 · 2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione

V18, 2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione (C19 H19 N3 O2, 321.4 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…

Component
V18
Formula
C19 H19 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

V18 in 2 structures; the first of them:

  • 7O46 · Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 17 · V18 A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 8 more
  • 7O46 · Crystal structure of SARS-cov-2 main protease (NSP5) in complex with compound 17 · V18 A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 8 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).

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