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Ligand · OXW

OXW · 5-fluoranyl-2-[5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]benzenecarbonitrile

OXW, 5-fluoranyl-2-[5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]benzenecarbonitrile (C20 H19 F N10, 418.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
OXW
Formula
C20 H19 F N10
Class
ligand
Structures
2
PDB entries
1

Binding sites

OXW in 2 structures; the first of them:

  • 6YLC · Biochemical, Cellular and Structural Characterization of Novel ERK3 Inhibitors · OXW A401 · binds LEU26, GLY27, CYS28, GLY29, VAL34, ALA47, LYS49, VAL78 and 11 more
  • 6YLC · Biochemical, cellular and structural characterization of novel ERK3 inhibitors · OXW A401 · binds LEU26, GLY27, CYS28, GLY29, VAL34, ALA47, LYS49, GLN108 and 9 more

Residues it binds most

GLU 8, ASP 7, PHE 8, VAL 8, GLY 5, ALA 8, ASN 6, GLN 8, MET 8, THR 8 (residue and the binding sites it lines).

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