Ligand name: 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE
PDB ligand accession: BAX
DrugBank: DB00398
PubChem: 216239
ChEMBL: CHEMBL1336
InChI Key: MLDQJTXFUGDVEO-UHFFFAOYSA-N
SMILES: CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Ethers

List of proteins that are targets for BAX

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P35916_BAX	P35916	inhibitor	IC50(nM) = 3.0 Kd(nM) = 16.0
2	P35968_BAX	P35968	inhibitor	Ki(nM) = 0.021 IC50(nM) = 0.06 Kd(nM) = 33.0 EC50(nM) = 500.0
3	P17948_BAX	P17948	inhibitor	IC50(nM) = 10.0 Kd(nM) = 31.0
4	P15056_BAX	P15056	inhibitor	Ki(nM) = 22.0 IC50(nM) = 4.4 Kd(nM) = 260.0 EC50(nM) = 3.0
5	P49336_BAX	P49336	n/a	IC50(nM) = 30.0 Kd(nM) = 310.0
6	P36888_BAX	P36888	inhibitor	IC50(nM) = 1.3 Kd(nM) = 4.5
7	P04049_BAX	P04049	inhibitor	IC50(nM) = 1.0 Kd(nM) = 230.0
8	P07949_BAX	P07949	inhibitor	IC50(nM) = 5.9 Kd(nM) = 7.4
9	P09619_BAX	P09619	inhibitor	IC50(nM) = 0.26 Kd(nM) = 37.0
10	Q16539_BAX	Q16539	n/a	IC50(nM) = 37.0 Kd(nM) = 260.0
11	P10721_BAX	P10721	antagonist	Ki(nM) = 16000.0 IC50(nM) = 31.0 Kd(nM) = 16.0
12	P11362_BAX	P11362	inhibitor	IC50(nM) = 4.6 Kd(nM) = 2500.0