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Ligand · IQR

IQR · 4-[3-(2-azanylpyrimidin-4-yl)-1~{H}-indol-5-yl]-2-methyl-but-3-yn-2-ol

IQR, 4-[3-(2-azanylpyrimidin-4-yl)-1~{H}-indol-5-yl]-2-methyl-but-3-yn-2-ol (C17 H16 N4 O, 292.3 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
IQR
Formula
C17 H16 N4 O
Class
ligand
Structures
1
PDB entries
1

Binding sites

IQR in 1 structure; the first of them:

  • 7ZHO · Crystal structure of TTBK1 in complex with compound 3 (7-001) · IQR A406 · binds ILE40, ILE48, ALA61, LYS63, GLU77, LEU81, CYS91, VAL105 and 8 more

Residues it binds most

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

Found with

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

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