Ligand name: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE
PDB ligand accession: STI
DrugBank: DB00619
PubChem: 5291
ChEMBL: CHEMBL941
InChI Key: KTUFNOKKBVMGRW-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C

ClassyFire chemical classification:

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

List of proteins that are targets for STI

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P43405_STI	P43405	n/a	Ki(nM) = 5000.0 IC50(nM) = 5000.0 Kd(nM) = 10000.0
2	P09619_STI	P09619	antagonist	Ki(nM) = 3.0 IC50(nM) = 50.0 Kd(nM) = 14.0
3	P42684_STI	P42684	n/a	IC50(nM) = 272.0 Kd(nM) = 10.0
4	P07333_STI	P07333	antagonist	IC50(nM) = 291.0 Kd(nM) = 10.0
5	P27707_STI	P27707	n/a
6	P16234_STI	P16234	antagonist	Ki(nM) = 2.0 IC50(nM) = 2.0 Kd(nM) = 31.0 EC50(nM) = 90.0
7	P00519_STI	P00519	inhibitor	Ki(nM) = 13.0 IC50(nM) = 1.1 Kd(nM) = 1.0 EC50(nM) = 34.0
8	P16083_STI	P16083	n/a	Ki(nM) = 39.0 IC50(nM) = 43.0
9	Q9UNQ0_STI	Q9UNQ0	n/a	IC50(nM) = 500.0
10	P00523_STI	P00523	n/a	IC50(nM) = 2784.0
11	P11274_STI	P11274	inhibitor
12	Q16832_STI	Q16832	antagonist	IC50(nM) = 141.0 Kd(nM) = 15.0
13	P37231_STI	P37231	n/a
14	P04629_STI	P04629	antagonist	Kd(nM) = 10000.0
15	Q08345_STI	Q08345	antagonist	IC50(nM) = 43.0 Kd(nM) = 0.7
16	P06239_STI	P06239	n/a	Ki(nM) = 6893.0 IC50(nM) = 160.0 Kd(nM) = 40.0
17	Q16539_STI	Q16539	n/a	IC50(nM) = 13700.0 Kd(nM) = 3162.0
18	Q59FK4_STI	Q59FK4	n/a
19	P00520_STI	P00520	n/a	IC50(nM) = 10.8
20	P10721_STI	P10721	antagonist	Ki(nM) = 14.0 IC50(nM) = 16.0 Kd(nM) = 3.0 EC50(nM) = 100.0