Ligand name: bromoergocryptine
PDB ligand accession: 08Y
DrugBank: DB01200
PubChem: 31101
ChEMBL: CHEMBL493
InChI Key: OZVBMTJYIDMWIL-AYFBDAFISA-N
SMILES: CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5Cc6c7c(cccc7[nH]c6Br)C5=C4)C)O

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Alkaloids and derivatives
    • Class: Ergoline and derivatives
      • Subclass: Lysergic acids and derivatives

List of proteins that are targets for DB01200

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P18089_08Y	P18089	agonist	Ki(nM) = 34.67
2	P25100_08Y	P25100	agonist	Ki(nM) = 1.12
3	P34969_08Y	P34969	antagonist
4	P21918_08Y	P21918	agonist	Ki(nM) = 454.0
5	P14416_08Y	P14416	agonist	Ki(nM) = 0.62
6	P21917_08Y	P21917	antagonist	Ki(nM) = 285.0
7	P35368_08Y	P35368	antagonist	Ki(nM) = 1.38
8	P28221_08Y	P28221	agonist	Ki(nM) = 10.72
9	P08908_08Y	P08908	agonist	Ki(nM) = 12.88
10	P35348_08Y	P35348	antagonist	Ki(nM) = 4.17
11	P21728_08Y	P21728	agonist	Ki(nM) = 672.0
12	P28222_08Y	P28222	agonist	Ki(nM) = 354.81
13	P0ABE7_08Y	P0ABE7	n/a
14	P08684_08Y	P08684	n/a	IC50(nM) = 2999.0
15	P08913_08Y	P08913	agonist	Ki(nM) = 10.96
16	D9IEF7_08Y	D9IEF7	n/a
17	P18825_08Y	P18825	agonist	Ki(nM) = 28.18
18	P28335_08Y	P28335	agonist	Ki(nM) = 741.31
19	P35462_08Y	P35462	agonist	Ki(nM) = 2.1
20	P28223_08Y	P28223	agonist	Ki(nM) = 107.15
21	P41595_08Y	P41595	agonist	Ki(nM) = 56.23