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Ligand · 46Y

46Y · 4,6-dimethyl-2-{[3-(morpholin-4-yl)propyl]amino}pyridine-3-carbonitrile

46Y, 4,6-dimethyl-2-{[3-(morpholin-4-yl)propyl]amino}pyridine-3-carbonitrile (C15 H22 N4 O, 274.4 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…

Component
46Y
Formula
C15 H22 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

46Y in 2 structures; the first of them:

  • 4Y44 · Endothiapepsin in complex with fragment 164 · 46Y A403 · binds ASP15, LEU224, VAL248, PHE280, GLY281, PRO282, ILE283, PHE291
  • 4Y44 · Endothiapepsin in complex with fragment 164 · 46Y A403 · binds ASP15, LEU224, VAL248, PHE280, GLY281, PRO282, ILE283, PHE291

Residues it binds most

PHE 2, ASP 2, GLY 2, ILE 2, LEU 2, PRO 2, VAL 2 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion
  • GOL · Glycerol

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