Ligand name: 3-[4-[2-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethyl-urea
PDB ligand accession: 7RU
DrugBank: DB06016
PubChem: n/a
ChEMBL: CHEMBL2028019
InChI Key: KPWSJANDNDDRMB-QAQDUYKDSA-N
SMILES: CN(C)C(=O)NC1CCC(CC1)CCN2CCN(CC2)c3cccc(c3Cl)Cl

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

List of proteins that are targets for 7RU

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	P28223_7RU	P28223	5-hydroxytryptamine receptor 2A	antagonist	Ki(nM) = 19.0 IC50(nM) = 191.0
2	P14416_7RU	P14416	D(2) dopamine receptor	partial agonist	Ki(nM) = 0.41 IC50(nM) = 1.7 EC50(nM) = 0.18
3	P35348_7RU	P35348	Alpha-1A adrenergic receptor	antagonist
4	P08908_7RU	P08908	5-hydroxytryptamine receptor 1A	partial agonist	Ki(nM) = 1.8
5	P35462_7RU	P35462	D(3) dopamine receptor	partial agonist	Ki(nM) = 0.085 IC50(nM) = 0.89 EC50(nM) = 5.8
6	P28335_7RU	P28335	5-hydroxytryptamine receptor 2C	antagonist	Ki(nM) = 198.0
7	P41595_7RU	P41595	5-hydroxytryptamine receptor 2B	antagonist	Ki(nM) = 0.151
8	P35367_7RU	P35367	Histamine H1 receptor	antagonist	Ki(nM) = 23.0