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Ligand · M9T

M9T · 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one

M9T, 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one (C20 H25 N5 O3, 383.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5…

Component
M9T
Formula
C20 H25 N5 O3
Class
ligand
Structures
3
PDB entries
2

Binding sites

M9T in 3 structures; the first of them:

  • 6T3B · Crystal structure of PI3Kgamma with a dihydropuri inhibitor (compound 4) · M9T A1201 · binds MET804, TRP812, ILE831, ASP841, TYR867, ILE879, GLU880, ILE881 and 8 more
  • 6T2W · Crystal structure of the CSF1R kinase domain with a dihydropurinone inhibitor (compound 4) · M9T A1001 · binds LEU588, GLY589, VAL596, ALA614, LYS616, VAL647, THR663, GLU664 and 7 more
  • 6T3B · Crystal structure of PI3KGAMMA with a dihydropurinone inhibitor (compound 4) · M9T A1201 · binds MET804, TRP812, ILE831, ASP841, TYR867, ILE879, GLU880, ILE881 and 8 more

Residues it binds most

ILE 2, ASP 3, MET 2, VAL 3, ALA 3, GLU 3, PHE 3, THR 3, TYR 3, GLY 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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