Ligand name: Ergotamine
PDB ligand accession: ERM
DrugBank: DB00696
PubChem: 8223
ChEMBL: CHEMBL442
InChI Key: XCGSFFUVFURLIX-VFGNJEKYSA-N
SMILES: CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)Cc4ccccc4)NC(=O)C5CN(C6Cc7c[nH]c8c7c(ccc8)C6=C5)C

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 ERM

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P18825_ERM	P18825	n/a
2	P28222_ERM	P28222	agonist	Ki(nM) = 2.1
3	P08908_ERM	P08908	agonist
4	P35368_ERM	P35368	partial agonist
5	P30939_ERM	P30939	agonist	Ki(nM) = 169.82
6	P14416_ERM	P14416	agonist
7	P28221_ERM	P28221	agonist	Ki(nM) = 0.8
8	P08913_ERM	P08913	partial agonist
9	P41595_ERM	P41595	n/a	Ki(nM) = 3.0
10	P28223_ERM	P28223	agonist	Ki(nM) = 0.64
11	P25100_ERM	P25100	partial agonist
12	P28335_ERM	P28335	agonist	Ki(nM) = 9.77
13	P35348_ERM	P35348	partial agonist