Ligand name: 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one
PDB ligand accession: 1E8
DrugBank: DB09053
PubChem: 24821094
ChEMBL: CHEMBL1873475
InChI Key: XYFPWWZEPKGCCK-GOSISDBHSA-N
SMILES: C=CC(=O)N1CCCC(C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N

ClassyFire chemical classification:

List of proteins that are targets for 1E8

# DrugDomain Data UniProt Accession Drug Action Affinity data
1 O14733_1E8 O14733 n/a
2 Q06187_1E8 Q06187 inhibitor Ki(nM) = 4.8
IC50(nM) = 0.08
Kd(nM) = 0.64
EC50(nM) = 5.8
3 P00523_1E8 P00523 n/a
4 A5K0N4_1E8 A5K0N4 n/a
5 Q9BJF5_1E8 Q9BJF5 n/a
6 P00533_1E8 P00533 n/a IC50(nM) = 0.5
Kd(nM) = 3.9
EC50(nM) = 49.0