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Ligand · TO8

TO8 · 7-chloranyl-4-(dimethylamino)-1~{H}-quinazolin-2-one

TO8, 7-chloranyl-4-(dimethylamino)-1~{H}-quinazolin-2-one (C10 H10 Cl N3 O, 223.7 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 binds…

Component
TO8
Formula
C10 H10 Cl N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

TO8 in 2 structures; the first of them:

  • 7BHT · Crystal structure of MAT2a with quinazoli fragment 5 bound in the allosteric site · TO8 A402 · binds PHE18, PHE20, GLN190, VAL195, TRP274, ARG313, TYR335
  • 7BHT · Crystal structure of MAT2A with quinazolinone fragment 5 bound in the allosteric site · TO8 A402 · binds PHE18, PHE20, GLN190, VAL195, TRP274, ARG313, TYR335

Residues it binds most

PHE 2, ARG 2, GLN 2, TRP 2, TYR 2, VAL 2 (residue and the binding sites it lines).

Found with

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

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