Ligand name: 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE
PDB ligand accession: CPB
DrugBank: DB03496
PubChem: 5287969
ChEMBL: CHEMBL428690
InChI Key: BIIVYFLTOXDAOV-YVEFUNNKSA-N
SMILES: CN1CCC(C(C1)O)c2c(cc(c3c2OC(=CC3=O)c4ccccc4Cl)O)O

ClassyFire chemical classification:

List of proteins that are targets for CPB

# DrugDomain Data UniProt Accession Protein name Drug Action Affinity data
1 P11217_CPB P11217 Glycogen phosphorylase, muscle inhibitor IC50(nM) = 1000.0
2 P00489_CPB P00489 Glycogen phosphorylase, muscle n/a IC50(nM) = 1200.0
3 P11802_CPB P11802 Cyclin-dependent kinase 4 n/a Ki(nM) = 40.0
IC50(nM) = 10.0
Kd(nM) = 3.3
4 P06493_CPB P06493 Cyclin-dependent kinase 1 n/a Ki(nM) = 40.0
IC50(nM) = 10.0
5 P49336_CPB P49336 Cyclin-dependent kinase 8 n/a Kd(nM) = 120.0
6 P24941_CPB P24941 Cyclin-dependent kinase 2 inhibitor Ki(nM) = 40.0
IC50(nM) = 10.0
Kd(nM) = 200.0
7 P11216_CPB P11216 Glycogen phosphorylase, brain n/a
8 P00533_CPB P00533 Epidermal growth factor n/a IC50(nM) = 21000.0
Kd(nM) = 520.0
9 Q00535_CPB Q00535 Cyclin-dependent kinase 5 n/a IC50(nM) = 170.0
Kd(nM) = 43.0
10 O60885_CPB O60885 Bromodomain-containing protein 4 n/a
11 P50750_CPB P50750 Cyclin-dependent kinase 9 inhibitor Ki(nM) = 3.0
IC50(nM) = 3.0
Kd(nM) = 6.4
12 P50613_CPB P50613 Cyclin-dependent kinase 7 n/a IC50(nM) = 10.0
Kd(nM) = 23.0
13 Q00534_CPB Q00534 Cyclin-dependent kinase 6 n/a IC50(nM) = 20.0