Ligand name: N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE
PDB ligand accession: 1N1
DrugBank: DB01254
PubChem: 3062316
ChEMBL: CHEMBL1421
InChI Key: ZBNZXTGUTAYRHI-UHFFFAOYSA-N
SMILES: Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Anilides

List of proteins that are targets for DB01254

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P10721_1N1	P10721	antagonist	Ki(nM) = 620.0 IC50(nM) = 1.0 Kd(nM) = 0.4
2	P07947_1N1	P07947	inhibitor	IC50(nM) = 0.5 Kd(nM) = 0.3
3	P00519_1N1	P00519	inhibitor	IC50(nM) = 0.138 Kd(nM) = 0.016 EC50(nM) = 0.04
4	P35991_1N1	P35991	n/a
5	Q99640_1N1	Q99640	n/a	Ki(nM) = 0.5 IC50(nM) = 6.0 Kd(nM) = 130.0
6	Q06187_1N1	Q06187	inhibitor	IC50(nM) = 1.3 Kd(nM) = 1.4
7	O94804_1N1	O94804	n/a	Kd(nM) = 1200.0
8	A9UJZ9_1N1	A9UJZ9	n/a
9	Q06203_1N1	Q06203	binder
10	P00523_1N1	P00523	n/a	IC50(nM) = 0.4 Kd(nM) = 0.07
11	P02766_1N1	P02766	n/a	Kd(nM) = 3100.0
12	Q9NYL2_1N1	Q9NYL2	binder	Kd(nM) = 45.0
13	P09769_1N1	P09769	inhibitor	IC50(nM) = 10.0 Kd(nM) = 0.5
14	P51692_1N1	P51692	inhibitor
15	Q13882_1N1	Q13882	n/a	IC50(nM) = 5.3 Kd(nM) = 7.8
16	P11142_1N1	P11142	binder
17	Q16539_1N1	Q16539	binder	IC50(nM) = 100.0 Kd(nM) = 27.0 EC50(nM) = 470.0
18	P09619_1N1	P09619	antagonist	IC50(nM) = 28.0 Kd(nM) = 0.63
19	P42684_1N1	P42684	multitarget	IC50(nM) = 2100.0 Kd(nM) = 0.17
20	P42685_1N1	P42685	binder	IC50(nM) = 10.0 Kd(nM) = 0.31
21	P29317_1N1	P29317	antagonist	IC50(nM) = 0.8 Kd(nM) = 0.85
22	Q9Y6E0_1N1	Q9Y6E0	n/a	Kd(nM) = 10000.0
23	P11274_1N1	P11274	inhibitor
24	P54756_1N1	P54756	inhibitor	Kd(nM) = 0.24
25	Q92570_1N1	Q92570	inhibitor
26	P25911_1N1	P25911	n/a
27	Q08345_1N1	Q08345	n/a	IC50(nM) = 0.5 Kd(nM) = 0.69
28	P06241_1N1	P06241	inhibitor	IC50(nM) = 0.5 Kd(nM) = 0.79
29	P06239_1N1	P06239	inhibitor	IC50(nM) = 0.4 Kd(nM) = 0.2
30	P12931_1N1	P12931	inhibitor	Ki(nM) = 0.016 IC50(nM) = 0.21 Kd(nM) = 0.21
31	P51813_1N1	P51813	n/a	Kd(nM) = 1.4
32	Q03137_1N1	Q03137	n/a
33	F8VQH0_1N1	F8VQH0	n/a
34	P41240_1N1	P41240	inhibitor	IC50(nM) = 1.3 Kd(nM) = 1.0
35	P07948_1N1	P07948	inhibitor	IC50(nM) = 1.2 Kd(nM) = 0.57
36	P54760_1N1	P54760	inhibitor	Kd(nM) = 0.34