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Ligand · 647

647 · 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[4-(trifluoromethyl)benzyl]pyridin-2-amine

647, 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[4-(trifluoromethyl)benzyl]pyridin-2-amine (C21 H17 F3 N4, 382.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
647
Formula
C21 H17 F3 N4
Class
ligand
Structures
2
PDB entries
1

Binding sites

647 in 2 structures; the first of them:

  • 4HVS · Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX647 · 647 A1001 · binds TRP557, LEU595, VAL603, ALA621, LYS623, GLU640, LEU644, LEU647 and 14 more
  • 4HVS · Crystal structure of kit kinase domain with a small molecule inhibitor, PLX647 · 647 A1001 · binds TRP557, LEU595, VAL603, ALA621, LYS623, GLU640, LEU644, LEU647 and 14 more

Residues it binds most

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

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