Reaction Details Report a problem with these data
Target
Alpha-2A adrenergic receptor
Ligand
BDBM50170183
Substrate
n/a
Meas. Tech.
ChEMBL_306231 (CHEMBL831139)
IC50
60±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:
BDBM50170183
Synonyms:
CHEMBL181632 | N-[4-(4-Dimethylamino-quinazolin-2-ylamino)-cyclohexyl]-3-trifluoromethyl-benzamide
Type:
Small organic molecule
Emp. Form.:
C24H26F3N5O
Mol. Mass.:
457.4913
SMILES:
CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(c2)C(F)(F)F)nc2ccccc12 |wU:10.13,7.6,(2.19,2.63,;.86,1.86,;-.48,2.61,;.87,.32,;2.2,-.45,;2.22,-1.99,;3.55,-2.75,;4.88,-1.99,;6.21,-2.76,;7.54,-1.99,;7.54,-.45,;6.21,.32,;4.88,-.45,;8.89,.32,;10.22,-.45,;10.22,-1.99,;11.55,.32,;12.89,-.45,;14.22,.32,;14.22,1.86,;12.86,2.63,;11.55,1.84,;12.86,4.17,;12.86,5.57,;14.1,5.18,;11.62,5.17,;.89,-2.78,;-.46,-2.01,;-1.79,-2.78,;-3.12,-2.01,;-3.12,-.47,;-1.79,.3,;-.46,-.47,)|
Structure:
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