Reaction Details Report a problem with these data
Target
Alpha-2A adrenergic receptor
Ligand
BDBM50541996
Substrate
n/a
Meas. Tech.
ChEMBL_1988758 (CHEMBL4622305)
Ki
960±n/a nM
Citation
 Jung, YH; Yu, J; Wen, Z; Salmaso, V; Karcz, TP; Phung, NB; Chen, Z; Duca, S; Bennett, JM; Dudas, S; Salvemini, D; Gao, ZG; Cook, DN; Jacobson, KA Exploration of Alternative Scaffolds for P2Y J Med Chem 63:9563-9589 (2020) [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:
BDBM50541996
Synonyms:
CHEMBL4633982
Type:
Small organic molecule
Emp. Form.:
C27H23F3N4O2
Mol. Mass.:
492.4923
SMILES:
OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F
Structure:
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