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Ligand · AK3

AK3 · 1-(5-{2-[(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea

AK3, 1-(5-{2-[(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea (C19 H17 F3 N8 O S, 462.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
AK3
Formula
C19 H17 F3 N8 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

AK3 in 2 structures; the first of them:

  • 3D2I · Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex… · AK3 A1 · binds LEU152, PHE157, VAL160, ALA173, LYS175, LEU177, LEU182, VAL187 and 15 more
  • 3D2I · Crystal structure of mouse aurora a (ASN186->gly, LYS240->arg, MET302- >leu) in complex… · AK3 A1 · binds LEU152, PHE157, VAL160, ALA173, LYS175, LEU177, LEU182, VAL187 and 15 more

Residues it binds most

LEU 2, ALA 2, GLU 2, GLY 2, VAL 2, ASP 2, GLN 2, LYS 2, PHE 2, THR 2 (residue and the binding sites it lines).

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