Ligand name: (2S)-N-methyl-1-phenylpropan-2-amine
PDB ligand accession: B40
DrugBank: DB01577
PubChem: 10836
ChEMBL: CHEMBL1201201
InChI Key: MYWUZJCMWCOHBA-VIFPVBQESA-N
SMILES: CC(Cc1ccccc1)NC

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Phenethylamines

List of proteins that are targets for B40

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	Q01959_B40	Q01959	Sodium-dependent dopamine transporter	negative modulator
2	P18089_B40	P18089	Alpha-2B adrenergic receptor	agonist
3	Q96RJ0_B40	Q96RJ0	Trace amine-associated receptor	agonist	EC50(nM) = 1300.0
4	P23975_B40	P23975	Sodium-dependent noradrenaline transporter	negative modulator
5	A0A0B4KEX2_B40	A0A0B4KEX2	Transporter	n/a
6	P18825_B40	P18825	Alpha-2C adrenergic receptor	agonist
7	P31645_B40	P31645	Sodium-dependent serotonin transporter	negative modulator
8	P08913_B40	P08913	Alpha-2A adrenergic receptor	agonist
9	P21397_B40	P21397	Amine oxidase [flavin-containing]	inhibitor
10	A0A4X1TV69_B40	A0A4X1TV69	Transporter	n/a
11	P27338_B40	P27338	Amine oxidase [flavin-containing]	inhibitor