Reaction Details Report a problem with these data
Target
Alpha-2A adrenergic receptor
Ligand
BDBM50170193
Substrate
n/a
Meas. Tech.
ChEMBL_306231 (CHEMBL831139)
IC50
71±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:
BDBM50170193
Synonyms:
N-[4-(4-Dimethylamino-quinazolin-2-ylamino)-cyclohexyl]-3,5-dimethoxy-benzamide | CHEMBL360081
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
COc1cc(OC)cc(c1)C(=O)N[C@H]1CC[C@H](CC1)Nc1nc(N(C)C)c2ccccc2n1 |wU:13.13,16.20,(10.67,4.4,;9.34,3.62,;9.34,2.08,;10.69,1.31,;10.69,-.23,;12.02,-1,;13.35,-.22,;9.36,-1,;8.01,-.23,;8.01,1.3,;6.68,-1,;6.68,-2.54,;5.35,-.23,;4.02,-1,;4.02,-2.54,;2.69,-3.31,;1.35,-2.53,;1.34,-1,;2.68,-.23,;.01,-3.3,;-1.32,-2.54,;-1.32,-.99,;-2.66,-.23,;-2.68,1.31,;-1.35,2.09,;-4.01,2.07,;-3.98,-1.01,;-5.32,-.24,;-6.65,-1.01,;-6.65,-2.55,;-5.32,-3.32,;-3.98,-2.55,;-2.65,-3.32,)|
Structure:
Search PDB for entries with ligand similarity: