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 ML1

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P05164_ML1	P05164	inhibitor	IC50(nM) = 3000.0
2	Q92753_ML1	Q92753	agonist
3	Q6P988_ML1	Q6P988	n/a	IC50(nM) = 75400.0
4	Q9LLQ2_ML1	Q9LLQ2	n/a
5	E9JSA3_ML1	E9JSA3	n/a
6	P49286_ML1	P49286	agonist	Ki(nM) = 0.12 IC50(nM) = 0.3 EC50(nM) = 0.069
7	P03372_ML1	P03372	antagonist
8	P11678_ML1	P11678	inhibitor
9	P46597_ML1	P46597	n/a
10	P16083_ML1	P16083	inhibitor	Ki(nM) = 28.0 IC50(nM) = 64.57
11	P48039_ML1	P48039	agonist	Ki(nM) = 0.08 IC50(nM) = 0.017 Kd(nM) = 0.0915 EC50(nM) = 0.022
12	P27797_ML1	P27797	n/a
13	P0DP23_ML1	P0DP23	n/a