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Ligand · EML

EML · 2-{ethyl[(5-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}isothiazol-3-yl)methyl]amino}-2-methylpropan-1-ol

EML, 2-{ethyl[(5-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}isothiazol-3-yl)methyl]amino}-2-methylpropan-1-ol (C20 H26 N8 O S, 426.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
EML
Formula
C20 H26 N8 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

EML in 2 structures; the first of them:

  • 3MYG · Aurora A Kinase complexed with SCH 1473759 · EML A1 · binds ARG137, LEU139, GLY140, VAL147, ALA160, LYS162, LEU194, LEU210 and 12 more
  • 3MYG · Aurora a kinase complexed with sch 1473759 · EML A1 · binds ARG137, LEU139, GLY140, VAL147, ALA160, LYS162, LEU194, LEU210 and 12 more

Residues it binds most

LEU 2, ALA 2, ARG 2, GLY 2, LYS 2, ASP 2, GLU 2, PRO 2, THR 2, TYR 2 (residue and the binding sites it lines).

Found with

  • PG4 · Tetraethylene glycol

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