Reaction Details Report a problem with these data
Target
Alpha-2A adrenergic receptor
Ligand
BDBM50170189
Substrate
n/a
Meas. Tech.
ChEMBL_306231 (CHEMBL831139)
IC50
7.7±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:
BDBM50170189
Synonyms:
4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide; hydrochloride | CHEMBL537846
Type:
Small organic molecule
Emp. Form.:
C25H29BrF3N5O3S
Mol. Mass.:
616.494
SMILES:
CN(C)c1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |wU:8.7,wD:11.11,(2.23,-6.29,;3.56,-7.05,;4.89,-6.27,;3.58,-8.59,;4.92,-9.36,;4.92,-10.9,;6.27,-11.68,;7.6,-10.9,;8.93,-11.68,;10.25,-10.9,;11.58,-11.68,;11.57,-13.22,;12.91,-13.99,;13.99,-12.89,;15.32,-13.66,;16.42,-14.76,;13.99,-14.43,;16.66,-12.89,;16.65,-11.35,;17.96,-10.57,;19.32,-11.32,;20.65,-10.55,;19.32,-12.87,;18,-13.65,;18,-15.2,;19.48,-15.6,;20.84,-15.95,;20.14,-17.05,;20.79,-14.64,;10.24,-13.97,;8.92,-13.21,;3.59,-11.69,;2.25,-10.92,;.91,-11.7,;-.42,-10.93,;-.42,-9.38,;.91,-8.6,;2.25,-9.38,)|
Structure:
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