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Ligand · KSE

KSE · 7-[(2-amino-2-methylpropyl)amino]-2-[(3,5-dimethoxyphenyl)amino]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

KSE, 7-[(2-amino-2-methylpropyl)amino]-2-[(3,5-dimethoxyphenyl)amino]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (C20 H27 N7 O3, 413.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
KSE
Formula
C20 H27 N7 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

KSE in 2 structures; the first of them:

  • 3AC2 · Crystal structure of pyrazolo pyrimidine derivative bound to the kinase domain of human… · KSE A514 · binds LEU251, VAL259, ALA271, LYS273, VAL301, THR316, GLU317, TYR318 and 6 more
  • 3AC2 · Crystal structure of pyrazolo pyrimidine derivative bound to the kinase domain of human… · KSE A514 · binds LEU251, VAL259, ALA271, LYS273, VAL301, THR316, GLU317, TYR318 and 6 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • MPD · (4S)-2-methyl-2,4-pentanediol

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