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Ligand · WTP

WTP · 5-chloro-N~2~-[4-(4-methylpiperazin-1-yl)phenyl]-N~4~-{[(2R)-oxolan-2-yl]methyl}pyrimidine-2,4-diamine

WTP, 5-chloro-N~2~-[4-(4-methylpiperazin-1-yl)phenyl]-N~4~-{[(2R)-oxolan-2-yl]methyl}pyrimidine-2,4-diamine (C20 H27 Cl N6 O, 402.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with…

Component
WTP
Formula
C20 H27 Cl N6 O
Class
ligand
Structures
2
PDB entries
2

Binding sites

WTP in 2 structures; the first of them:

  • 8FE9 · Crystal structure of Ack1 kinase K161Q mutant in complex with the selective inhibitor… · WTP A401 · binds LYS131, LEU132, GLY133, ASP134, VAL140, ALA156, LYS158, ILE190 and 9 more
  • 7KP6 · Structure of ACK1 kinase in complex with a selective inhibitor · WTP A401 · binds LEU132, GLY133, ASP134, VAL140, ALA156, LYS158, THR205, GLU206 and 6 more

Residues it binds most

LEU 3, GLY 3, ALA 3, ASP 3, GLU 3, LYS 2, PRO 3, THR 3, VAL 3, ARG 1 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion

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