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Ligand · 3DK

3DK · 3-[1-(2,5-difluorobenzyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

3DK, 3-[1-(2,5-difluorobenzyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (C21 H16 F2 N6, 390.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
3DK
Formula
C21 H16 F2 N6
Class
ligand
Structures
2
PDB entries
1

Binding sites

3DK in 2 structures; the first of them:

  • 4JOA · Crystal Structure of Human Anaplastic Lymphoma Kinase in complex with 7-azaindole based… · 3DK A1501 · binds LEU1122, GLY1123, ALA1148, LYS1150, PHE1164, GLU1167, ILE1171, ILE1194 and 9 more
  • 4JOA · Crystal structure of human anaplastic lymphoma kinase in complex with 7-azaindole based… · 3DK A1501 · binds LEU1122, GLY1123, ALA1148, LYS1150, PHE1164, GLU1167, ILE1171, ILE1194 and 9 more

Residues it binds most

LEU 2, GLY 2, GLU 2, ILE 2, ALA 2, ARG 2, ASP 2, LYS 2, MET 2, PHE 2 (residue and the binding sites it lines).

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