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Ligand · 3TA

3TA · 9-chloro-2-({5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepine-6-thi one

3TA, 9-chloro-2-({5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepine-6-thi one (C23 H25 Cl N6 S, 453.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
3TA
Formula
C23 H25 Cl N6 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

3TA in 2 structures; the first of them:

  • 3THB · Structure of PLK1 kinase domain in complex with a benzolactam-derived inhibitor · 3TA A1 · binds LEU59, GLY60, LYS61, GLY62, CYS67, ALA80, LYS82, HIS105 and 14 more
  • 3THB · Structure of PLK1 kinase domain in complex with a benzolactam-derived inhibitor · 3TA A1 · binds LEU59, GLY60, LYS61, GLY62, CYS67, ALA80, LYS82, HIS105 and 14 more

Residues it binds most

GLY 2, LEU 2, ARG 2, CYS 2, GLU 2, LYS 2, ALA 2, ASP 2, HIS 2, PHE 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion

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