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Ligand · DTJ

DTJ · 4-tert-butyl-N-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]benzamide

DTJ, 4-tert-butyl-N-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]benzamide (C33 H36 N6 O5, 596.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
DTJ
Formula
C33 H36 N6 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

DTJ in 2 structures; the first of them:

  • 6BIK · BTK complex with compound 7 · DTJ A703 · binds LEU408, GLY409, THR410, GLY411, GLN412, PHE413, VAL416, ALA428 and 18 more
  • 6BIK · Btk complex with compound 7 · DTJ A703 · binds LEU408, THR410, GLY411, GLN412, PHE413, VAL416, ALA428, LYS430 and 15 more

Residues it binds most

LEU 2, GLY 2, VAL 2, ALA 2, ASN 2, ASP 2, THR 2, TYR 2, SER 2, GLN 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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