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Ligand · WTJ

WTJ · 2-amino-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide

WTJ, 2-amino-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide (C16 H20 N4 O3 S, 348.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
WTJ
Formula
C16 H20 N4 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

WTJ in 2 structures; the first of them:

  • 2WTJ · Crystal structure of CHK2 in complex with an inhibitor · WTJ A1513 · binds LEU226, VAL234, ALA247, LYS249, ILE286, LEU301, GLU302, LEU303 and 9 more
  • 2WTJ · Crystal structure of CHK2 in complex with an inhibitor · WTJ A1513 · binds LEU226, VAL234, ALA247, LYS249, ILE286, LEU301, GLU302, LEU303 and 9 more

Residues it binds most

GLU 2, LEU 2, ALA 2, ASN 2, ASP 2, GLY 2, ILE 2, LYS 2, MET 2, THR 2 (residue and the binding sites it lines).

Found with

  • NO3 · Nitrate ion
  • EDO · 1,2-ethanediol

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