Reaction Details Report a problem with these data
Target
Alpha-2A adrenergic receptor
Ligand
BDBM50170180
Substrate
n/a
Meas. Tech.
ChEMBL_306231 (CHEMBL831139)
IC50
76±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:
450
Sequence:
MGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVISFPPLISIEKKGGGGGPQPAEPRCEINDQKWYVISSCIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDAVAAPPGGTERRPNGLGPERSAGPGGAEAEPLPTQLNGAPGEPAPAGPRDTDALDLEESSSSDHAERPPGPRRPERGPRGKGKARASQVKPGDSLPRRGPGATGIGTPAAGPGEERVGAAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPRTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
  
Inhibitor
Name:
BDBM50170180
Synonyms:
3-Chloro-N-[4-(4-dimethylamino-quinazolin-2-ylamino)-cyclohexyl]-benzamide | CHEMBL179878
Type:
Small organic molecule
Emp. Form.:
C23H26ClN5O
Mol. Mass.:
423.938
SMILES:
CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(Cl)c2)nc2ccccc12 |wU:10.13,7.6,(1.9,3.91,;.57,3.14,;-.76,3.9,;.58,1.6,;1.92,.83,;1.92,-.71,;3.25,-1.47,;4.6,-.71,;5.93,-1.48,;7.26,-.71,;7.26,.83,;5.93,1.6,;4.58,.83,;8.59,1.6,;9.92,.83,;9.92,-.71,;11.25,1.6,;12.6,.83,;13.93,1.6,;13.93,3.14,;12.58,3.91,;12.58,5.45,;11.25,3.13,;.59,-1.49,;-.74,-.72,;-2.08,-1.5,;-3.41,-.73,;-3.41,.82,;-2.08,1.59,;-.74,.82,)|
Structure:
Search PDB for entries with ligand similarity: