Reaction Details Report a problem with these data
Target
Alpha-2A adrenergic receptor
Ligand
BDBM50585790
Substrate
n/a
Meas. Tech.
ChEMBL_2163940 (CHEMBL5048801)
IC50
1300±n/a nM
Citation
 Jecs, E; Tahirovic, YA; Wilson, RJ; Miller, EJ; Kim, M; Truax, V; Nguyen, HH; Akins, NS; Saindane, M; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Burton, SL; Derdeyn, CA; Xu, L; Jiang, Y; Wilson, LJ; Liotta, DC Synthesis and Evaluation of Novel Tetrahydronaphthyridine CXCR4 Antagonists with Improved Drug-like Profiles. J Med Chem 65:4058-4084 (2022) [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:
BDBM50585790
Synonyms:
CHEMBL5076569
Type:
Small organic molecule
Emp. Form.:
C22H31N5
Mol. Mass.:
365.515
SMILES:
NCCCCN(C[C@H]1Cc2cccnc2CN1)[C@H]1CCCc2cccnc12 |r|
Structure:
Search PDB for entries with ligand similarity: