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Ligand · 4T9

4T9 · N-(3,4-dimethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine

4T9, N-(3,4-dimethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine (C18 H17 N5 O2, 335.4 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…

Component
4T9
Formula
C18 H17 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

4T9 in 2 structures; the first of them:

  • 4C4E · Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic… · 4T9 A1796 · binds ILE531, VAL539, GLN541, ALA551, LYS553, ILE586, MET602, GLU603 and 8 more
  • 4C4E · Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic… · 4T9 A1796 · binds ILE531, VAL539, GLN541, ALA551, LYS553, ILE586, MET602, GLU603 and 8 more

Residues it binds most

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

Found with

  • 1PE · Pentaethylene glycol
  • 7PE · 2-(2-(2-(2-(2-(2-ethoxyethoxy)ethoxy)ethoxy)ethoxy) ethoxy)ethanol

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