PDB ligand accession: ML2
DrugBank: DB08190
PubChem:
ChEMBL:
InChI Key: FJDDSMSDZHURBJ-UHFFFAOYSA-N
SMILES: CC(=O)NCCc1c2cc(ccc2[nH]c1I)OC
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Indoles and derivatives
- Subclass: Indoles
- Class: Indoles and derivatives
- Superclass: Organoheterocyclic compounds
# | DrugDomain Data | UniProt Accession | Drug Action | Affinity data |
---|---|---|---|---|
1 | P48039_ML2 | P48039 | agonist | Ki(nM) = 0.01 IC50(nM) = 0.005 |
2 | P16083_ML2 | P16083 | inhibitor | Ki(nM) = 6.5 IC50(nM) = 1100.0 |