Reaction Details Report a problem with these data
Target
Alpha-2A adrenergic receptor
Ligand
BDBM50170177
Substrate
n/a
Meas. Tech.
ChEMBL_306231 (CHEMBL831139)
IC50
31±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; Sekiguchi, Y Lead optimization of 4-(dimethylamino)quinazolines, potent and selective antagonists for the melanin-concentrating hormone receptor 1. Bioorg Med Chem Lett 15:3853-6 (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:
BDBM50170177
Synonyms:
CHEMBL360117 | trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzamide
Type:
Small organic molecule
Emp. Form.:
C26H31BrF3N5O
Mol. Mass.:
566.456
SMILES:
CN(C)c1nc(NCC2CCC(CNCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-6.75,-12.89,;-5.42,-13.66,;-4.07,-12.89,;-5.42,-15.21,;-4.07,-15.98,;-4.07,-17.52,;-2.73,-18.32,;-1.39,-17.54,;-.06,-18.31,;1.27,-17.54,;2.6,-18.32,;2.6,-19.86,;3.94,-20.63,;5.27,-19.85,;6.6,-20.62,;7.93,-19.84,;7.91,-18.31,;9.24,-17.52,;10.59,-18.28,;11.92,-17.5,;10.6,-19.83,;9.27,-20.61,;9.27,-22.15,;10.62,-22.92,;11.84,-23.62,;10.88,-24.5,;12.12,-22.34,;1.26,-20.61,;-.06,-19.84,;-5.42,-18.29,;-6.75,-17.52,;-8.08,-18.29,;-9.41,-17.52,;-9.41,-15.99,;-8.08,-15.21,;-6.75,-15.98,)|
Structure:
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