PDB ligand accession: DSM
DrugBank: DB01151
PubChem:
ChEMBL:
InChI Key: HCYAFALTSJYZDH-UHFFFAOYSA-N
SMILES: CNCCCN1c2ccccc2CCc3c1cccc3
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzazepines
- Subclass: Dibenzazepines
- Class: Benzazepines
- Superclass: Organoheterocyclic compounds
| # | DrugDomain Data | UniProt Accession | Protein name | Drug Action | Affinity data |
|---|---|---|---|---|---|
| 1 | P07550_DSM | P07550 | Beta-2 adrenergic receptor | antagonist | |
| 2 | P31645_DSM | P31645 | Sodium-dependent serotonin transporter | inhibitor | Ki(nM) = 17.6 IC50(nM) = 64.0 |
| 3 | P28223_DSM | P28223 | 5-hydroxytryptamine receptor 2A | antagonist | Ki(nM) = 160.0 |
| 4 | P08912_DSM | P08912 | Muscarinic acetylcholine receptor | antagonist | Ki(nM) = 143.0 |
| 5 | P08173_DSM | P08173 | Muscarinic acetylcholine receptor | antagonist | Ki(nM) = 160.0 |
| 6 | P08908_DSM | P08908 | 5-hydroxytryptamine receptor 1A | binder | Ki(nM) = 6400.0 |
| 7 | P35367_DSM | P35367 | Histamine H1 receptor | antagonist | Ki(nM) = 60.0 |
| 8 | P23975_DSM | P23975 | Sodium-dependent noradrenaline transporter | inhibitor | Ki(nM) = 0.49 IC50(nM) = 0.93 Kd(nM) = 0.83 |
| 9 | O67854_DSM | O67854 | Na(+):neurotransmitter symporter (Snf | n/a | |
| 10 | P14416_DSM | P14416 | D(2) dopamine receptor | binder | Ki(nM) = 1561.0 |
| 11 | P17405_DSM | P17405 | Sphingomyelin phosphodiesterase (EC | inhibitor | |
| 12 | P02754_DSM | P02754 | Beta-lactoglobulin (Beta-LG) (allergen | n/a | |
| 13 | P20309_DSM | P20309 | Muscarinic acetylcholine receptor | antagonist | Ki(nM) = 210.0 |
| 14 | P08172_DSM | P08172 | Muscarinic acetylcholine receptor | antagonist | Ki(nM) = 66.0 |
| 15 | P28335_DSM | P28335 | 5-hydroxytryptamine receptor 2C | binder | Ki(nM) = 350.0 |
| 16 | P11229_DSM | P11229 | Muscarinic acetylcholine receptor | antagonist | Ki(nM) = 110.0 |
| 17 | P08588_DSM | P08588 | Beta-1 adrenergic receptor | other |