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Ligand · 1IR

1IR · N-[cis-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine

1IR, N-[cis-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine (C18 H17 N5 O S, 351.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
1IR
Formula
C18 H17 N5 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1IR in 2 structures; the first of them:

  • 4P0N · Crystal structure of PDE10a with a novel Imidazo[4,5-b]pyridine inhibitor · 1IR A802 · binds TYR514, LEU665, SER667, VAL668, ILE682, TYR683, PHE686, PRO702 and 7 more
  • 4P0N · Crystal structure of PDE10A with a novel IMIDAZO[4,5-B]PYRIDINE inhibitor · 1IR A802 · binds TYR514, LEU665, SER667, VAL668, ILE682, TYR683, PHE686, PRO702 and 7 more

Residues it binds most

PHE 4, TYR 4, VAL 4, GLN 4, GLU 4, GLY 4, ILE 4, LEU 4, LYS 4, MET 4 (residue and the binding sites it lines).

Found with

  • 1IS · N-[trans-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine
  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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