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Ligand · P31

P31 · 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine

P31, 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine (C20 H15 Cl F3 N5, 417.8 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding…

Component
P31
Formula
C20 H15 Cl F3 N5
Class
ligand
Structures
4
PDB entries
2

Binding sites

P31 in 4 structures; the first of them:

  • 4R7H · Crystal structure of FMS KINASE domain with a small molecular inhibitor, PLX3397 · P31 A1001 · binds VAL548, ARG549, TRP550, LEU588, VAL596, ALA614, LYS616, SER632 and 13 more
  • 7KHG · Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX3397 · P31 A1001 · binds TRP557, LEU595, VAL603, ALA621, LYS623, GLU640, LEU644, LEU647 and 14 more
  • 4R7H · Crystal structure of fms kinase domain with a small molecular inhibitor, PLX3397 · P31 A1001 · binds VAL548, ARG549, TRP550, LEU588, VAL596, ALA614, LYS616, SER632 and 13 more
  • 7KHG · Crystal structure of kit kinase domain with a small molecule inhibitor, PLX3397 · P31 A1001 · binds TRP557, LEU595, VAL603, ALA621, LYS623, GLU640, LEU644, LEU647 and 14 more

Residues it binds most

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

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