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Ligand · AK1

AK1 · 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea

AK1, 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea (C19 H15 F3 N6 O S2, 464.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
AK1
Formula
C19 H15 F3 N6 O S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

AK1 in 2 structures; the first of them:

  • 3D14 · Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex… · AK1 A1 · binds LEU152, PHE157, VAL160, ALA173, LYS175, LEU182, VAL187, GLN190 and 15 more
  • 3D14 · Crystal structure of mouse aurora a (ASN186->gly, LYS240->arg, MET302- >leu) in complex… · AK1 A1 · binds LEU152, PHE157, VAL160, ALA173, LYS175, LEU182, VAL187, GLN190 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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