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Ligand · STJ

STJ · 3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide

STJ, 3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide (C18 H13 F3 N4 O2, 374.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues…

Component
STJ
Formula
C18 H13 F3 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

STJ in 2 structures; the first of them:

  • 3K5V · Structure of Abl kinase in complex with imatinib and GNF-2 · STJ A1 · binds ALA356, LEU359, LEU360, ALA363, LEU448, ILE451, ALA452, TYR454 and 9 more
  • 3K5V · Structure of abl kinase in complex with imatinib and gnf-2 · STJ A1 · binds ALA356, LEU359, LEU360, ALA363, LEU448, ILE451, ALA452, TYR454 and 9 more

Residues it binds most

LEU 4, ALA 4, ILE 4, VAL 4, CYS 4, GLU 4, GLY 4, PHE 4, PRO 4, TYR 4 (residue and the binding sites it lines).

Found with

  • STI · 4-(4-methyl-piperazin-1-ylmethyl)-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide
  • CL · Chloride ion

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