Ligand name: 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA
PDB ligand accession: B96
DrugBank: DB03044
PubChem: 156422
ChEMBL: CHEMBL103667
InChI Key: MVCOAUNKQVWQHZ-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCN5CCOCC5

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Azoles
      • Subclass: Pyrazoles

List of proteins that are targets for B96

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P29320_B96	P29320	n/a	IC50(nM) = 1000.0 Kd(nM) = 580.0
2	Q14289_B96	Q14289	n/a	IC50(nM) = 400.0 Kd(nM) = 990.0
3	O94804_B96	O94804	n/a	IC50(nM) = 1000.0 Kd(nM) = 7.1
4	P15056_B96	P15056	n/a	IC50(nM) = 83.4 Kd(nM) = 2700.0
5	P45984_B96	P45984	n/a	IC50(nM) = 6.0 Kd(nM) = 4.6
6	Q16539_B96	Q16539	n/a	Ki(nM) = 0.1 IC50(nM) = 0.1 Kd(nM) = 0.098 kon(M-1-s-1) = 84900.0 koff(s-1) = 8.0E-6