GL1X · GenesisL1 explorer

Ligand · NS9

NS9 · (2S,3S)-3-{[7-(benzylamino)-3-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}butane-1,2,4-triol

NS9, (2S,3S)-3-{[7-(benzylamino)-3-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}butane-1,2,4-triol (C20 H27 N5 O3, 385.5 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its…

Component
NS9
Formula
C20 H27 N5 O3
Class
ligand
Structures
3
PDB entries
2

Binding sites

NS9 in 3 structures; the first of them:

  • 3NS9 · Crystal structure of CDK2 in complex with inhibitor BS-194 · NS9 A0 · binds GLU8, ILE10, GLY11, GLU12, GLY13, VAL18, ALA31, LYS33 and 14 more
  • 8P6X · Cryo-EM structure of CAK in complex with inhibitor BS-194 · NS9 J401 · binds LEU18, GLY19, GLU20, VAL26, ALA39, LYS41, ILE75, PHE91 and 11 more
  • 3NS9 · Crystal structure of CDK2 in complex with inhibitor bs-194 · NS9 A0 · binds GLU8, ILE10, GLY11, GLU12, GLY13, VAL18, ALA31, LYS33 and 14 more

Residues it binds most

GLU 3, ASP 3, ALA 3, LEU 3, PHE 3, GLY 3, LYS 3, VAL 3, ASN 3, GLN 2 (residue and the binding sites it lines).

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