Ligand name: N,N-diethyl-N'-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea
PDB ligand accession: H8G
DrugBank: DB00589
PubChem: 28864
ChEMBL: CHEMBL157138
InChI Key: BKRGVLQUQGGVSM-KBXCAEBGSA-N
SMILES: CCN(CC)C(=O)NC1CN(C2Cc3c[nH]c4c3c(ccc4)C2=C1)C

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Quinolines and derivatives
      • Subclass: Indoloquinolines

List of proteins that are targets for DB00589

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P28335_H8G	P28335	agonist	Ki(nM) = 10000.0 IC50(nM) = 26.0 Kd(nM) = 50119.0 EC50(nM) = 203.1
2	P28221_H8G	P28221	agonist	Ki(nM) = 10000.0
3	P34969_H8G	P34969	n/a	Ki(nM) = 6.8
4	P18825_H8G	P18825	other/unknown	Ki(nM) = 0.4
5	P08908_H8G	P08908	agonist	Ki(nM) = 0.3 Kd(nM) = 501.0
6	P28223_H8G	P28223	agonist	Ki(nM) = 5.4 IC50(nM) = 0.97 EC50(nM) = 343.0
7	P14416_H8G	P14416	agonist	Ki(nM) = 0.34
8	P21917_H8G	P21917	agonist	Ki(nM) = 3.8 EC50(nM) = 89.0
9	P21918_H8G	P21918	antagonist	Ki(nM) = 77.0
10	P08913_H8G	P08913	other/unknown	Ki(nM) = 1.8
11	P18089_H8G	P18089	other/unknown	Ki(nM) = 0.5
12	P47898_H8G	P47898	n/a	Ki(nM) = 3.1
13	P28222_H8G	P28222	agonist	Ki(nM) = 16.0
14	P41595_H8G	P41595	antagonist	Ki(nM) = 1.1
15	P35462_H8G	P35462	agonist	Ki(nM) = 1.7
16	P21728_H8G	P21728	antagonist	Ki(nM) = 0.34