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Ligand · 1S1

1S1 · 2-ethyl-2-{[4-(methylamino)-6-(1H-1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino}butanenitrile

1S1, 2-ethyl-2-{[4-(methylamino)-6-(1H-1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino}butanenitrile (C12 H17 N9, 287.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
1S1
Formula
C12 H17 N9
Class
ligand
Structures
2
PDB entries
1

Binding sites

1S1 in 2 structures; the first of them:

  • 4KP6 · Crystal structure of human phosphodiesterase 4B (PDE4B) in complex with a [1,3,5]triazine… · 1S1 A501 · binds TYR233, HIS234, THR345, MET347, ASP392, LEU393, ASN395, TYR403 and 8 more
  • 4KP6 · Crystal structure of human phosphodiesterase 4B (PDE4B) in complex with a [1,3,5]TRIAZINE… · 1S1 A501 · binds TYR233, HIS234, THR345, MET347, ASP392, LEU393, ASN395, TYR403 and 8 more

Residues it binds most

MET 2, PHE 2, THR 2, TYR 2, ASN 2, ASP 2, GLN 2, HIS 2, ILE 2, LEU 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion
  • EDO · 1,2-ethanediol

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