Reaction Details Report a problem with these data
Target
Alpha-2A adrenergic receptor
Ligand
BDBM50170187
Substrate
n/a
Meas. Tech.
ChEMBL_306231 (CHEMBL831139)
IC50
34±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:
BDBM50170187
Synonyms:
CHEMBL181727 | trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-N-methyl-2-trifluoromethoxy-benzenesulfonamide
Type:
Small organic molecule
Emp. Form.:
C26H31BrF3N5O3S
Mol. Mass.:
630.52
SMILES:
CN(C)c1nc(NCC2CCC(CN(C)S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-6.25,5.67,;-7.59,4.9,;-8.94,5.67,;-7.59,3.36,;-6.25,2.59,;-6.25,1.04,;-4.9,.25,;-3.57,1.03,;-2.24,.26,;-2.24,-1.27,;-.93,-2.04,;.42,-1.29,;1.75,-2.06,;3.08,-1.29,;3.07,.26,;4.42,-2.06,;4.4,-3.6,;4.4,-.51,;5.75,-1.27,;5.73,.26,;7.06,1.04,;8.4,.28,;9.73,1.07,;8.41,-1.26,;7.09,-2.04,;7.09,-3.58,;8.42,-4.35,;9.65,-5.05,;8.69,-5.93,;9.94,-3.77,;.42,.25,;-.91,1.03,;-7.59,.27,;-8.92,1.04,;-10.25,.27,;-11.59,1.04,;-11.59,2.57,;-10.25,3.36,;-8.92,2.59,)|
Structure:
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