Reaction Details Report a problem with these data
Target
Alpha-2A adrenergic receptor
Ligand
BDBM50170178
Substrate
n/a
Meas. Tech.
ChEMBL_306231 (CHEMBL831139)
IC50
130±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:
ADRA2R | Adrenergic receptor alpha | ADRA2A | Adrenergic alpha2A | Alpha-2 adrenergic receptor subtype C10 | alpha-2A adrenergic receptor [Homo sapiens] | ADRAR | ADA2A_HUMAN | Alpha-2AAR | Alpha-2A adrenoceptor | Alpha-2A adrenoreceptor
Type:
Enzyme
Mol. Mass.:
48979.91
Organism:
Human
Description:
P08913
Residue:
465
Sequence:
MFRQEQPLAEGSFAPMGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVISFPPLISIEKKGGGGGPQPAEPRCEINDQKWYVISSCIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDAVAAPPGGTERRPNGLGPERSAGPGGAEAEPLPTQLNGAPGEPAPAGPRDTDALDLEESSSSDHAERPPGPRRPERGPRGKGKARASQVKPGDSLPRRGPGATGIGTPAAGPGEERVGAAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPRTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
  
Inhibitor
Name:
BDBM50170178
Synonyms:
4-Bromo-N-[4-(4-dimethylamino-quinazolin-2-ylamino)-cyclohexylmethyl]-2-trifluoromethoxy-benzenesulfonamide | CHEMBL181217
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
CN(C)c1nc(N[C@@H]2CC[C@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |wU:7.6,10.10,(-1.09,4.52,;-2.42,3.73,;-3.75,4.5,;-2.4,2.19,;-1.07,1.44,;-1.07,-.12,;.28,-.89,;1.62,-.12,;2.92,-.89,;4.25,-.12,;4.27,1.4,;5.61,2.16,;6.94,1.39,;8.27,2.17,;9.6,2.96,;6.93,2.94,;9.75,1.79,;9.76,.25,;11.11,-.51,;12.42,.27,;13.77,-.5,;12.42,1.81,;11.07,2.57,;11.06,4.12,;12.39,4.89,;13.89,4.33,;12.63,6.48,;13.59,5.6,;2.95,2.19,;1.62,1.42,;-2.4,-.89,;-3.73,-.12,;-5.06,-.89,;-6.39,-.12,;-6.39,1.42,;-5.06,2.19,;-3.73,1.42,)|
Structure:
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