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Ligand · W9D

W9D · 5-{[4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino}-3,3-dimethyl-2-benzofuran-1(3H)-one

W9D, 5-{[4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino}-3,3-dimethyl-2-benzofuran-1(3H)-one (C24 H22 N6 O4, 458.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
W9D
Formula
C24 H22 N6 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

W9D in 2 structures; the first of them:

  • 7KAC · Crystal structure of HPK1 (MAP4K1) kinase in complex with… · W9D A401 · binds LEU23, GLY24, GLY25, TYR28, VAL31, ALA44, LYS46, VAL75 and 11 more
  • 7KAC · Crystal structure of HPK1 (MAP4K1) kinase in complex with 5-{[4… · W9D A401 · binds LEU23, GLY24, GLY25, TYR28, VAL31, ALA44, LYS46, VAL75 and 11 more

Residues it binds most

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

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