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Ligand · 5Y3

5Y3 · ~{N}-[2-[2-azanylethyl(methyl)amino]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide

5Y3, ~{N}-[2-[2-azanylethyl(methyl)amino]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide (C21 H25 N9 O, 419.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
5Y3
Formula
C21 H25 N9 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

5Y3 in 2 structures; the first of them:

  • 5H8E · Crystal structure of CK2 with compound 7h · 5Y3 A421 · binds LEU45, GLY46, ARG47, GLY48, SER51, VAL53, VAL66, LYS68 and 11 more
  • 5H8E · Crystal structure of CK2 with compound 7H · 5Y3 A421 · binds LEU45, GLY46, ARG47, GLY48, SER51, VAL53, VAL66, LYS68 and 11 more

Residues it binds most

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

Found with

  • CL · Chloride ion
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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