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Ligand · AK4

AK4 · (7-{[2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-5-yl)ethyl]amino}-1H-pyrazolo[4,3-d]pyrimidin-1-yl)acetic acid

AK4, (7-{[2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-5-yl)ethyl]amino}-1H-pyrazolo[4,3-d]pyrimidin-1-yl)acetic acid (C19 H17 Cl N8 O3 S, 472.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
AK4
Formula
C19 H17 Cl N8 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

AK4 in 2 structures; the first of them:

  • 3D2K · Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex… · AK4 A1 · binds LEU152, GLY153, PHE157, VAL160, ALA173, LYS175, LEU182, VAL187 and 15 more
  • 3D2K · Crystal structure of mouse aurora a (ASN186->gly, LYS240->arg, MET302- >leu) in complex… · AK4 A1 · binds LEU152, GLY153, PHE157, VAL160, ALA173, LYS175, 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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