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Ligand · PDY

PDY · N~7~-(4-ethoxyphenyl)-6-methyl-N~5~-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine

PDY, N~7~-(4-ethoxyphenyl)-6-methyl-N~5~-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine (C20 H26 N6 O, 366.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
PDY
Formula
C20 H26 N6 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

PDY in 4 structures; the first of them:

  • 3A2C · Crystal structure of a pyrazolopyrimidine inhibitor complex bound to MAPKAP Kinase-2 (MK2) · PDY A1 · binds VAL78, GLN80, ALA91, VAL118, MET138, GLU139, CYS140, LEU141 and 6 more
  • 3WBL · Crystal structure of CDK2 in complex with pyrazolopyrimidine inhibitor · PDY A302 · binds ILE10, GLY11, GLU12, GLY13, VAL18, ALA31, LYS33, VAL64 and 13 more
  • 3A2C · Crystal structure of a pyrazolopyrimidine inhibitor complex bound to mapkap kinase-2 (MK2) · PDY A1 · binds VAL78, GLN80, ALA91, VAL118, MET138, GLU139, CYS140, LEU141 and 6 more

Residues it binds most

LEU 44, GLU 30, ASP 28, VAL 26, TYR 24, MET 34, ASN 30, PRO 24, ALA 26, GLN 26 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • ACT · Acetate ion

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