Target
Alpha-2A adrenergic receptor
Ligand
BDBM50250803
Substrate
n/a
Meas. Tech.
ChEMBL_1895370 (CHEMBL4397405)
Ki
221±n/a nM
Citation
 Reilly, SWRiad, AAHsieh, CJSahlholm, KJacome, DAGriffin, STaylor, MWeng, CCXu, KKirschner, NLuedtke, RRParry, CMalhotra, SKaranicolas, JMach, RH Leveraging a Low-Affinity Diazaspiro Orthosteric Fragment to Reduce Dopamine D J Med Chem 62:5132-5147 (2019) [PubMed]  Article 
Target
Name:
Alpha-2A adrenergic receptor
Synonyms:
ADA2A_HUMAN | ADRA2A | ADRA2R | ADRAR | Adrenergic alpha2A | Adrenergic receptor alpha | Alpha-2 adrenergic receptor subtype C10 | Alpha-2A adrenoceptor | Alpha-2A adrenoreceptor | Alpha-2AAR | alpha-2A adrenergic receptor [Homo sapiens]
Type:
Enzyme
Mol. Mass.:
48979.91
Organism:
Homo sapiens (Human)
Description:
P08913
Residue:
465
Sequence:
MFRQEQPLAEGSFAPMGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVISFPPLISIEKKGGGGGPQPAEPRCEINDQKWYVISSCIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDAVAAPPGGTERRPNGLGPERSAGPGGAEAEPLPTQLNGAPGEPAPAGPRDTDALDLEESSSSDHAERPPGPRRPERGPRGKGKARASQVKPGDSLPRRGPGATGIGTPAAGPGEERVGAAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPRTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
  
Inhibitor
Name:
BDBM50250803
Synonyms:
CHEMBL4083252
Type:
Small organic molecule
Emp. Form.:
C23H29N5OS
Mol. Mass.:
423.574
SMILES:
COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1
Structure:
Search PDB for entries with ligand similarity: