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Target
Alpha-2A adrenergic receptor
Ligand
BDBM50170182
Substrate
n/a
Meas. Tech.
ChEMBL_306231 (CHEMBL831139)
IC50
47±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:
BDBM50170182
Synonyms:
3,4-Dichloro-N-[4-(4-dimethylamino-quinazolin-2-ylamino)-cyclohexyl]-benzamide | CHEMBL362400
Type:
Small organic molecule
Emp. Form.:
C23H25Cl2N5O
Mol. Mass.:
458.384
SMILES:
CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)c(Cl)c2)nc2ccccc12 |wU:10.13,7.6,(-2.35,4.13,;-3.68,3.35,;-5.01,4.12,;-3.68,1.81,;-2.33,1.05,;-2.33,-.5,;-1,-1.24,;.35,-.49,;1.69,-1.27,;3.02,-.5,;3.02,1.04,;1.68,1.81,;.33,1.04,;4.35,1.81,;5.68,1.04,;5.68,-.5,;7.01,1.81,;8.35,1.04,;9.68,1.81,;9.68,3.35,;11.01,4.12,;8.34,4.12,;8.34,5.66,;7.01,3.35,;-3.66,-1.27,;-4.99,-.5,;-6.32,-1.28,;-7.65,-.51,;-7.65,1.03,;-6.32,1.81,;-4.99,1.04,)|
Structure:
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