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Ligand · 9IO

9IO · ~{N}-(4-methoxyphenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine

9IO, ~{N}-(4-methoxyphenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine (C13 H12 N4 O, 240.3 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
9IO
Formula
C13 H12 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

9IO in 2 structures; the first of them:

  • 7Q8W · Crystal structure of TTBK1 in complex with VNG1.35 (compound 23) · 9IO A401 · binds ILE40, GLY41, ILE48, ALA61, LYS63, CYS91, MET107, GLN108 and 5 more
  • 7Q8W · Crystal structure of TTBK1 in complex with VNG1.35 (compound 23) · 9IO A401 · binds ILE40, ILE48, ALA61, LYS63, CYS91, MET107, GLN108, LEU109 and 4 more

Residues it binds most

GLN 2, ILE 2, LEU 2, ALA 2, ASN 2, CYS 2, LYS 2, MET 2, SER 2, GLY 1 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • EDO · 1,2-ethanediol

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