Medvedev Lab DrugDomain Protein List Small Molecules Download GitHub
Ligand name: 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
PDB ligand accession: DB8
DrugBank: DB06616
PubChem: 5328940
ChEMBL: CHEMBL288441
InChI Key: UBPYILGKFZZVDX-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC

ClassyFire chemical classification:

List of proteins that are targets for DB06616

# DrugDomain Data UniProt Accession Protein name Drug Action Affinity data
1 P00519_DB8 P00519 Tyrosine-protein kinase ABL1 inhibitor IC50(nM) = 0.5
Kd(nM) = 0.029
2 P29317_DB8 P29317 Ephrin type-A receptor n/a IC50(nM) = 2.0
Kd(nM) = 18.0
3 Q9Y6E0_DB8 Q9Y6E0 Serine/threonine-protein kinase 24 n/a IC50(nM) = 3.9
Kd(nM) = 380.0
4 P21860_DB8 P21860 Receptor tyrosine-protein kinase n/a Kd(nM) = 0.77
5 Q9Y2U5_DB8 Q9Y2U5 Mitogen-activated protein kinase inhibitor Kd(nM) = 30.0
6 Q02750_DB8 Q02750 Dual specificity mitogen-activated inhibitor IC50(nM) = 1.0
Kd(nM) = 19.0
7 Q6PHR2_DB8 Q6PHR2 Serine/threonine-protein kinase ULK3 n/a Kd(nM) = 460.0
8 P36507_DB8 P36507 Dual specificity mitogen-activated inhibitor Kd(nM) = 9.9
9 P08631_DB8 P08631 Tyrosine-protein kinase HCK inhibitor IC50(nM) = 3.2
Kd(nM) = 3.4
10 O94804_DB8 O94804 Serine/threonine-protein kinase 10 n/a IC50(nM) = 52.0
Kd(nM) = 7.0
11 Q13555_DB8 Q13555 Calcium/calmodulin-dependent protein kinase inhibitor IC50(nM) = 184.0
Kd(nM) = 3600.0
12 P07948_DB8 P07948 Tyrosine-protein kinase Lyn inhibitor IC50(nM) = 8.0
Kd(nM) = 4.2
13 Q9UQM7_DB8 Q9UQM7 Calcium/calmodulin-dependent protein kinase n/a Kd(nM) = 4500.0
14 P11274_DB8 P11274 Breakpoint cluster region n/a
15 P12931_DB8 P12931 Proto-oncogene tyrosine-protein kinase inhibitor IC50(nM) = 1.0
Kd(nM) = 1.0
16 P30291_DB8 P30291 Wee1-like protein kinase n/a Kd(nM) = 44.0
17 P24941_DB8 P24941 Cyclin-dependent kinase 2 n/a Kd(nM) = 10000.0
18 Q99640_DB8 Q99640 Membrane-associated tyrosine- and n/a Ki(nM) = 13.0
IC50(nM) = 133.0
Kd(nM) = 270.0