Ligand Download |
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Ligand Name: (3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine | ||
HET ID: 29E | PubChem: 60835 | |
DrugBank: DB00476 | ChEMBL: CHEMBL1175 | |
Canonical SMILES: CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | ||
Standard InChI: InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1 | ||
Molecular Formula: C18H19NOS | Mol. Weight: 297.41455 | Heavy Atoms: 21 |
Charge: 0 | Is Chiral: True | logP: 5.0218 |
HBD: 1 | HBA: 3 | TPSA: 49.5 |
#Bonds: 24 | #Rotatable Bonds: 6 | Shape Complexity: 0.22222222 |
Stereocomplexity: 0.055555556 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Na(+):neurotransmitter symporter (Snf family) | O67854 (O67854_AQUAE) | Aquifex aeolicus | 4MM6 | Ki : 205.0 nM | PDBBind | SHOW |