Target
Alpha-2A adrenergic receptor
Ligand
BDBM50170179
Substrate
n/a
Meas. Tech.
ChEMBL_306231 (CHEMBL831139)
IC50
110±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:
BDBM50170179
Synonyms:
CHEMBL180962 | N-[4-(4-Dimethylamino-quinazolin-2-ylamino)-cyclohexyl]-3-methyl-benzamide
Type:
Small organic molecule
Emp. Form.:
C24H29N5O
Mol. Mass.:
403.52
SMILES:
CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(C)c2)nc2ccccc12 |wU:10.13,7.6,(-2.22,2.73,;-.88,1.98,;.45,2.75,;-.88,.44,;.47,-.33,;.47,-1.87,;1.8,-2.64,;3.13,-1.87,;4.48,-2.64,;5.81,-1.87,;5.81,-.33,;4.46,.44,;3.13,-.33,;7.15,.44,;8.48,-.33,;8.48,-1.87,;9.81,.44,;11.14,-.33,;12.47,.44,;12.47,1.98,;11.13,2.75,;11.13,4.29,;9.81,1.96,;-.86,-2.66,;-2.19,-1.89,;-3.54,-2.67,;-4.87,-1.9,;-4.87,-.35,;-3.54,.42,;-2.19,-.35,)|
Structure:
Search PDB for entries with ligand similarity: