Reaction Details Report a problem with these data
Target
Alpha-2A adrenergic receptor
Ligand
BDBM50166560
Substrate
n/a
Meas. Tech.
ChEMBL_306656 (CHEMBL831429)
IC50
110±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:
465
Sequence:
MFRQEQPLAEGSFAPMGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVISFPPLISIEKKGGGGGPQPAEPRCEINDQKWYVISSCIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDAVAAPPGGTERRPNGLGPERSAGPGGAEAEPLPTQLNGAPGEPAPAGPRDTDALDLEESSSSDHAERPPGPRRPERGPRGKGKARASQVKPGDSLPRRGPGATGIGTPAAGPGEERVGAAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPRTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
  
Inhibitor
Name:
BDBM50166560
Synonyms:
4-Bromo-N-[4-(4-dimethylamino-quinazolin-2-ylamino)-cyclohexylmethyl]-2-trifluoromethoxy-benzenesulfonamide | CHEMBL194602
Type:
Small organic molecule
Emp. Form.:
C24H27BrF3N5O3S
Mol. Mass.:
602.467
SMILES:
CN(C)c1nc(NC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-5.24,-.68,;-3.84,-1.33,;-2.58,-.44,;-3.84,-2.87,;-2.49,-3.65,;-2.47,-5.2,;-1.16,-5.96,;.17,-5.19,;.16,-3.65,;1.49,-2.88,;2.83,-3.64,;4.16,-2.86,;5.49,-3.63,;6.82,-2.85,;7.58,-4.19,;5.73,-1.76,;8.13,-2.04,;9.48,-2.76,;10.79,-1.97,;10.76,-.43,;12.07,.39,;9.41,.3,;8.1,-.5,;6.74,.23,;6.7,1.77,;5.16,1.77,;8.24,1.77,;6.68,3.31,;2.83,-5.18,;1.5,-5.96,;-3.82,-5.98,;-5.17,-5.21,;-6.5,-5.98,;-7.83,-5.21,;-7.83,-3.66,;-6.5,-2.89,;-5.17,-3.66,)|
Structure:
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