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:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Quinolines and derivatives
      • Subclass: Aminoquinolines and derivatives

List of proteins that are targets for DB8

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P00519_DB8	P00519	inhibitor	IC50(nM) = 0.5 Kd(nM) = 0.029
2	P29317_DB8	P29317	n/a	IC50(nM) = 2.0 Kd(nM) = 18.0
3	Q9Y6E0_DB8	Q9Y6E0	n/a	IC50(nM) = 3.9 Kd(nM) = 380.0
4	P21860_DB8	P21860	n/a	Kd(nM) = 0.77
5	Q9Y2U5_DB8	Q9Y2U5	inhibitor	Kd(nM) = 30.0
6	Q02750_DB8	Q02750	inhibitor	IC50(nM) = 1.0 Kd(nM) = 19.0
7	Q6PHR2_DB8	Q6PHR2	n/a	Kd(nM) = 460.0
8	P36507_DB8	P36507	inhibitor	Kd(nM) = 9.9
9	P08631_DB8	P08631	inhibitor	IC50(nM) = 3.2 Kd(nM) = 3.4
10	O94804_DB8	O94804	n/a	IC50(nM) = 52.0 Kd(nM) = 7.0
11	Q13555_DB8	Q13555	inhibitor	IC50(nM) = 184.0 Kd(nM) = 3600.0
12	P07948_DB8	P07948	inhibitor	IC50(nM) = 8.0 Kd(nM) = 4.2
13	Q9UQM7_DB8	Q9UQM7	n/a	Kd(nM) = 4500.0
14	P11274_DB8	P11274	n/a
15	P12931_DB8	P12931	inhibitor	IC50(nM) = 1.0 Kd(nM) = 1.0
16	P30291_DB8	P30291	n/a	Kd(nM) = 44.0
17	P24941_DB8	P24941	n/a	Kd(nM) = 10000.0
18	Q99640_DB8	Q99640	n/a	Ki(nM) = 13.0 IC50(nM) = 133.0 Kd(nM) = 270.0