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Ligand · O43

O43 · 4-{6-(cyclohexylamino)-8-[(tetrahydro-2H-pyran-4-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}-N-cyclopropylbenzamide

O43, 4-{6-(cyclohexylamino)-8-[(tetrahydro-2H-pyran-4-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}-N-cyclopropylbenzamide (C28 H36 N6 O2, 488.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
O43
Formula
C28 H36 N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

O43 in 2 structures; the first of them:

  • 3WZJ · CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH… · O43 A901 · binds ILE531, GLY532, VAL539, GLN541, ALA551, LYS553, GLU571, LEU575 and 17 more
  • 3WZJ · Crystal structure of human MPS1 catalytic domain in complex with 4-(6… · O43 A901 · binds ILE531, GLY532, VAL539, GLN541, ALA551, LYS553, GLU571, LEU575 and 17 more

Residues it binds most

ILE 2, MET 2, ALA 2, ASP 2, GLN 2, GLU 2, GLY 2, LEU 2, ASN 2, CYS 2 (residue and the binding sites it lines).

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