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Ligand · 1J4

1J4 · 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide

1J4, 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide (C27 H34 F3 N7 O3, 561.6 g/mol), in the MolNFT structures on…

Component
1J4
Formula
C27 H34 F3 N7 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

1J4 in 2 structures; the first of them:

  • 4J53 · Crystal structure of PLK1 in complex with TAK-960 · 1J4 A403 · binds ARG57, PHE58, LEU59, GLY60, LYS61, GLY62, CYS67, GLU69 and 10 more
  • 4J53 · Crystal structure of PLK1 in complex with tak-960 · 1J4 A403 · binds ARG57, PHE58, LEU59, GLY60, LYS61, GLY62, CYS67, GLU69 and 10 more

Residues it binds most

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

Found with

  • ZN · Zinc ion
  • ACT · Acetate ion

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