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Ligand · 2HY

2HY · 2-hydroxyethyl (4R)-4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

2HY, 2-hydroxyethyl (4R)-4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate (C22 H18 F3 N3 O4, 445.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
2HY
Formula
C22 H18 F3 N3 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

2HY in 2 structures; the first of them:

  • 3Q77 · Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor · 2HY A500 · binds HIS57, TYR94, ASP95, PRO98, LEU99B, LEU100, ASP102, VAL190 and 10 more
  • 3Q77 · Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor · 2HY A500 · binds HIS57, TYR94, ASP95, PRO98, LEU99B, LEU100, ASP102, VAL190 and 10 more

Residues it binds most

ASP 2, ALA 2, CYS 2, LEU 2, PHE 2, SER 2, VAL 2, HIS 2, PRO 2, TYR 2 (residue and the binding sites it lines).

Found with

  • FUC · alpha-L-fucopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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