Ligand name: 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
PDB ligand accession: KS1
DrugBank: DB08052
PubChem: 24905142
ChEMBL: CHEMBL1081312
InChI Key: NVRXTLZYXZNATH-UHFFFAOYSA-N
SMILES: c1c[nH]c2c1cc(cn2)c3c4c(ncnc4n(n3)C5CCCC5)N

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Pyrazolylpyridines

List of proteins that are targets for KS1

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P08631_KS1	P08631	inhibitor
2	P12931_KS1	P12931	inhibitor	IC50(nM) = 14.0
3	Q9Y6E0_KS1	Q9Y6E0	n/a
4	Q3HNM4_KS1	Q3HNM4	n/a
5	P00523_KS1	P00523	n/a
6	Q9BYP7_KS1	Q9BYP7	n/a