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Ligand · E5J

E5J · 5-chloro-N~2~-{4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl}-N~4~-[2-(dimethylphosphoryl) phenyl]pyrimidine-2,4-diamine

E5J, 5-chloro-N~2~-{4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl}-N~4~-[2-(dimethylphosphoryl) phenyl]pyrimidine-2,4-diamine (C26 H34 Cl N6 O2 P, 529.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
E5J
Formula
C26 H34 Cl N6 O2 P
Class
ligand
Structures
2
PDB entries
1

Binding sites

E5J in 2 structures; the first of them:

  • 6BRC · Crystal Structure of the Human CAMKK2B in complex with AP26113-analog (ALK-IN-1) · E5J A501 · binds ILE171, GLY172, LYS173, VAL179, ALA192, PHE267, GLU268, LEU269 and 8 more
  • 6BRC · Crystal structure of the human CAMKK2B in complex with AP26113-analog (ALK-in-1) · E5J A501 · binds ILE171, GLY172, LYS173, VAL179, ALA192, PHE267, GLU268, LEU269 and 8 more

Residues it binds most

ALA 4, GLY 4, LEU 4, VAL 4, ASN 4, ASP 4, GLU 4, ILE 4, LYS 4, PHE 4 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion

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