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Ligand · NNN

NNN · (2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol

NNN, (2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol (C19 H26 N6 O, 354.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
NNN
Formula
C19 H26 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

NNN in 2 structures; the first of them:

  • 3DOG · Structure of Thr 160 phosphorylated CDK2/cyclin A in complex with the inhibitor N-&-N1 · NNN A299 · binds GLU8, ILE10, GLY11, GLU12, GLY13, VAL18, ALA31, VAL64 and 12 more
  • 3DOG · Structure of thr 160 phosphorylated CDK2/CYCLIN a in complex with the inhibitor N-&-N1 · NNN A299 · binds GLU8, ILE10, GLY11, GLU12, GLY13, VAL18, ALA31, VAL64 and 12 more

Residues it binds most

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

Found with

  • SGM · Monothioglycerol

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