Target
Alpha-2A adrenergic receptor
Ligand
BDBM50170194
Substrate
n/a
Meas. Tech.
ChEMBL_306231 (CHEMBL831139)
IC50
9.9±n/a nM
Citation
 Kanuma, KOmodera, KNishiguchi, MFunakoshi, TChaki, SSemple, GTran, TAKramer, BHsu, DCasper, MThomsen, BSekiguchi, 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:
450
Sequence:
MGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVISFPPLISIEKKGGGGGPQPAEPRCEINDQKWYVISSCIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDAVAAPPGGTERRPNGLGPERSAGPGGAEAEPLPTQLNGAPGEPAPAGPRDTDALDLEESSSSDHAERPPGPRRPERGPRGKGKARASQVKPGDSLPRRGPGATGIGTPAAGPGEERVGAAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPRTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
  
Inhibitor
Name:
BDBM50170194
Synonyms:
CHEMBL367355 | trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzamide
Type:
Small organic molecule
Emp. Form.:
C26H29BrF3N5O2
Mol. Mass.:
580.44
SMILES:
CN(C)c1nc(NCC2CCC(CNC(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-4.27,-8.45,;-5.61,-9.22,;-6.96,-8.45,;-5.61,-10.76,;-4.27,-11.54,;-4.27,-13.08,;-2.92,-13.87,;-1.59,-13.09,;-.26,-13.87,;-.27,-15.39,;1.06,-16.16,;2.39,-15.42,;3.73,-16.19,;5.06,-15.41,;6.39,-16.18,;6.39,-17.72,;7.72,-15.39,;7.72,-13.87,;9.03,-13.08,;10.39,-13.84,;11.72,-13.05,;10.39,-15.39,;9.07,-16.16,;9.07,-17.71,;10.41,-18.48,;11.63,-19.17,;10.67,-20.06,;11.92,-17.89,;2.39,-13.87,;1.06,-13.09,;-5.61,-13.85,;-6.94,-13.08,;-8.28,-13.85,;-9.63,-13.08,;-9.63,-11.55,;-8.28,-10.76,;-6.94,-11.54,)|
Structure:
Search PDB for entries with ligand similarity: