Ligand name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
PDB ligand accession: ML1
DrugBank: DB01065
PubChem: 896
ChEMBL: CHEMBL45
InChI Key: DRLFMBDRBRZALE-UHFFFAOYSA-N
SMILES: CC(=O)NCCc1c[nH]c2c1cc(cc2)OC

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Indoles and derivatives
      • Subclass: Indoles

List of proteins that are targets for DB01065

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	P05164_ML1	P05164	Myeloperoxidase (MPO) (EC	inhibitor	IC50(nM) = 3000.0
2	Q92753_ML1	Q92753	Nuclear receptor ROR-beta	agonist
3	Q6P988_ML1	Q6P988	Palmitoleoyl-protein carboxylesterase NOTUM	n/a	IC50(nM) = 75400.0
4	Q9LLQ2_ML1	Q9LLQ2	Class 10 plant	n/a
5	E9JSA3_ML1	E9JSA3	Phenolic oxidative coupling	n/a
6	P49286_ML1	P49286	Melatonin receptor type	agonist	Ki(nM) = 0.12 IC50(nM) = 0.3 EC50(nM) = 0.069
7	P03372_ML1	P03372	Estrogen receptor (ER)	antagonist
8	P11678_ML1	P11678	Eosinophil peroxidase (EPO)	inhibitor
9	P46597_ML1	P46597	Acetylserotonin O-methyltransferase (EC	n/a
10	P16083_ML1	P16083	Ribosyldihydronicotinamide dehydrogenase [quinone]	inhibitor	Ki(nM) = 28.0 IC50(nM) = 64.57
11	P48039_ML1	P48039	Melatonin receptor type	agonist	Ki(nM) = 0.08 IC50(nM) = 0.017 Kd(nM) = 0.0915 EC50(nM) = 0.022
12	P27797_ML1	P27797	Calreticulin (CRP55) (Calregulin)	n/a
13	P0DP23_ML1	P0DP23	Calmodulin-1	n/a