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Ligand · PWU

PWU · Isopropyl 6-((4-(1,2-dimethyl-1H-imidazol-5-yl)phenyl)amino)-2-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate

PWU, Isopropyl 6-((4-(1,2-dimethyl-1H-imidazol-5-yl)phenyl)amino)-2-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate (C26 H27 N7 O2, 469.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries).…

Component
PWU
Formula
C26 H27 N7 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

PWU in 4 structures; the first of them:

  • 5AP2 · Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug… · PWU A1795 · binds ILE531, GLY532, VAL539, ALA551, LYS553, GLU571, LEU575, ILE586 and 12 more
  • 5AP6 · Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug… · PWU A1795 · binds ILE531, GLY532, VAL539, ALA551, LYS553, GLU571, LEU575, ILE586 and 14 more
  • 5AP2 · Naturally occurring mutations in the MPS1 gene predispose cells to kinase inhibitor drug… · PWU A1795 · binds ILE531, GLY532, VAL539, ALA551, LYS553, GLU571, LEU575, ILE586 and 12 more
  • 5AP6 · Naturally occurring mutations in the MPS1 gene predispose cells to kinase inhibitor drug… · PWU A1795 · binds ILE531, GLY532, VAL539, ALA551, LYS553, GLU571, LEU575, ILE586 and 14 more

Residues it binds most

ILE 4, GLU 4, GLY 4, LEU 4, MET 4, ASP 4, ALA 4, ASN 4, LYS 4, PRO 4 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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