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Ligand · KS1

KS1 · 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

KS1, 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (C17 H17 N7, 319.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
KS1
Formula
C17 H17 N7
Class
ligand
Structures
2
PDB entries
1

Binding sites

KS1 in 2 structures; the first of them:

  • 5O2B · Crystal structure of WNK3 kinase domain in a diphosphorylated state and in a complex with… · KS1 A501 · binds GLY154, ARG155, GLY156, LYS159, VAL161, ALA174, CYS176, VAL207 and 11 more
  • 5O2B · Crystal structure of WNK3 kinase domain in a diphosphorylated state and in a complex with… · KS1 A501 · binds GLY154, ARG155, LYS159, VAL161, ALA174, CYS176, VAL207, LEU225 and 9 more

Residues it binds most

LEU 4, GLY 4, THR 4, VAL 4, ALA 4, ARG 4, ASP 4, CYS 4, GLU 4, LYS 4 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion

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