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Ligand · 4LO

4LO · N~6~-[5-methyl-4-(1-methylpiperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

4LO, N~6~-[5-methyl-4-(1-methylpiperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine (C30 H39 N7 O3 S, 577.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
4LO
Formula
C30 H39 N7 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

4LO in 2 structures; the first of them:

  • 4Z55 · Anaplastic lymphoma kinase catalytic domain complexed with pyrazolopyrimidine derivative… · 4LO A1503 · binds LEU1122, GLY1123, HIS1124, GLY1125, ALA1126, VAL1130, GLU1132, ALA1148 and 17 more
  • 4Z55 · Anaplastic lymphoma kinase catalytic domain complexed with pyrazolopyrimidine derivative… · 4LO A1503 · binds LEU1122, GLY1123, HIS1124, GLY1125, ALA1126, VAL1130, GLU1132, ALA1148 and 17 more

Residues it binds most

GLY 2, LEU 2, ALA 2, GLU 2, ASP 2, VAL 2, ARG 2, ASN 2, HIS 2, LYS 2 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol

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