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Ligand · TO5

TO5 · 7-chloranyl-4-(dimethylamino)-1-pyridin-3-yl-quinazolin-2-one

TO5, 7-chloranyl-4-(dimethylamino)-1-pyridin-3-yl-quinazolin-2-one (C15 H13 Cl N4 O, 300.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component
TO5
Formula
C15 H13 Cl N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

TO5 in 2 structures; the first of them:

  • 7BHX · Crystal structure of MAT2a bound to allosteric inhibitor (compound 31) · TO5 A402 · binds PHE139, GLY275, ALA276, LEU315, VAL316, GLN317, SER331, ILE332 and 2 more
  • 7BHX · Crystal structure of MAT2A bound to allosteric inhibitor (compound 31) · TO5 A402 · binds PHE139, GLY275, ALA276, LEU315, VAL316, GLN317, SER331, ILE332 and 2 more

Residues it binds most

PHE 2, ALA 2, GLN 2, GLU 2, GLY 2, ILE 2, LEU 2, SER 2, VAL 2 (residue and the binding sites it lines).

Found with

  • SAM · S-adenosylmethionine
  • CL · Chloride ion
  • DMS · Dimethyl sulfoxide

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