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Ligand · 7YY

7YY · 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione

7YY, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione (C22 H17 Cl F3 N9 O2, 531.9 g/mol), in the MolNFT structures on GenesisL1: bound in…

Component
7YY
Formula
C22 H17 Cl F3 N9 O2
Class
ligand
Structures
12
PDB entries
12

Binding sites

7YY in 12 structures; the first of them:

  • 8DZ1 · Crystal Structure of SARS-CoV-2 Main protease mutant M49I in complex with Ensitrelvir · 7YY A403 · binds THR24, THR25, THR26, HIS41, PHE140, LEU141, ASN142, GLY143 and 11 more
  • 8H3G · Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166V Mutant in Complex with… · 7YY A401 · binds THR24, THR25, THR26, LEU27, HIS41, MET49, TYR54, PHE140 and 13 more
  • 8H3L · Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (T21I and E166V) in… · 7YY A401 · binds THR24, THR25, THR26, LEU27, HIS41, MET49, TYR54, PHE140 and 14 more
  • 8HBK · The crystal structure of SARS-CoV-2 3CL protease in complex with Ensitrelvir · 7YY A401 · binds THR24, THR25, THR26, LEU27, HIS41, MET49, TYR54, PHE140 and 13 more
  • 8HUR · Crystal structure of SARS-Cov-2 main protease in complex with S217622 · 7YY A401 · binds THR24, THR25, THR26, LEU27, HIS41, MET49, PHE140, LEU141 and 12 more
  • 8HUT · Crystal structure of MERS main protease in complex with S217622 · 7YY A401 · binds SER24, MET25, THR26, LEU27, HIS41, TYR54, PHE143, LEU144 and 12 more
  • 8HUU · Crystal structure of HCoV-NL63 main protease with S217622 · 7YY A401 · binds SER24, THR25, VAL26, LEU27, HIS41, TYR53, PHE139, ILE140 and 12 more
  • 8HUX · Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with S217622 · 7YY A401 · binds THR24, THR25, THR26, LEU27, HIS41, MET49, PHE140, LEU141 and 12 more
  • 8INX · Crystal Structure of SARS-CoV-2 Main Protease (Mpro) G15S Mutant in Complex with… · 7YY A401 · binds THR24, THR25, THR26, LEU27, HIS41, MET49, PHE140, LEU141 and 12 more
  • 8V8G · Room-temperature X-ray structure of SARS-CoV-2 main protease catalytic domain (residues… · 7YY A201 · binds THR24, THR25, THR26, LEU27, HIS41, MET49, PHE140, LEU141 and 15 more
  • 9CMS · Room-temperature X-ray structure of SARS-CoV-2 main protease drug resistant mutant… · 7YY A401 · binds THR24, THR25, THR26, LEU27, HIS41, MET49, TYR54, PHE140 and 13 more
  • 7VU6 · The crystal structure of SARS-cov-2 3CL protease in complex with compound 3 · 7YY A501 · binds THR24, THR25, THR26, LEU27, HIS41, PHE140, LEU141, ASN142 and 10 more

Residues it binds most

HIS 24, THR 24, LEU 24, MET 22, SER 24, GLN 23, ASP 24, CYS 24, GLY 24, PHE 24 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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