Reaction Details Report a problem with these data
Target
Alpha-2A adrenergic receptor
Ligand
BDBM50166565
Substrate
n/a
Meas. Tech.
ChEMBL_306656 (CHEMBL831429)
IC50
57±n/a nM
Citation
 Kanuma, K; Omodera, K; Nishiguchi, M; Funakoshi, T; Chaki, S; Semple, G; Tran, TA; Kramer, B; Hsu, D; Casper, M; Thomsen, B; Beeley, N; Sekiguchi, Y Discovery of 4-(dimethylamino)quinazolines as potent and selective antagonists for the melanin-concentrating hormone receptor 1. Bioorg Med Chem Lett 15:2565-9 (2005) [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:
450
Sequence:
MGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVISFPPLISIEKKGGGGGPQPAEPRCEINDQKWYVISSCIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDAVAAPPGGTERRPNGLGPERSAGPGGAEAEPLPTQLNGAPGEPAPAGPRDTDALDLEESSSSDHAERPPGPRRPERGPRGKGKARASQVKPGDSLPRRGPGATGIGTPAAGPGEERVGAAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPRTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
  
Inhibitor
Name:
BDBM50166565
Synonyms:
4-Bromo-N-[4-(quinazolin-2-ylamino)-cyclohexyl]-2-trifluoromethoxy-benzenesulfonamide | CHEMBL195346
Type:
Small organic molecule
Emp. Form.:
C21H20BrF3N4O3S
Mol. Mass.:
545.373
SMILES:
FC(F)(F)Oc1cc(Br)ccc1S(=O)(=O)NC1CCC(CC1)Nc1ncc2ccccc2n1 |(8.56,3.94,;7.02,3.94,;7.01,5.48,;5.48,3.94,;7.07,2.4,;8.42,1.67,;9.73,2.47,;11.08,1.74,;12.4,2.56,;11.11,.2,;9.81,-.61,;8.45,.13,;7.15,-.68,;6.05,.41,;7.92,-2.01,;5.82,-1.45,;4.49,-.68,;3.15,-1.45,;1.82,-.68,;1.83,.86,;3.16,1.63,;4.49,.86,;.5,1.63,;-.82,.88,;-.83,-.68,;-2.19,-1.45,;-3.52,-.66,;-4.85,-1.43,;-6.18,-.66,;-6.18,.88,;-4.85,1.65,;-3.52,.88,;-2.16,1.65,)|
Structure:
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