Reaction Details Report a problem with these data
Target
Alpha-2A adrenergic receptor
Ligand
BDBM50170196
Substrate
n/a
Meas. Tech.
ChEMBL_306231 (CHEMBL831139)
IC50
44±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:
465
Sequence:
MFRQEQPLAEGSFAPMGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVISFPPLISIEKKGGGGGPQPAEPRCEINDQKWYVISSCIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDAVAAPPGGTERRPNGLGPERSAGPGGAEAEPLPTQLNGAPGEPAPAGPRDTDALDLEESSSSDHAERPPGPRRPERGPRGKGKARASQVKPGDSLPRRGPGATGIGTPAAGPGEERVGAAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPRTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
  
Inhibitor
Name:
BDBM50170196
Synonyms:
CHEMBL182235 | trans-N*2*-(4-{[(4-Bromo-2-trifluoromethoxy-benzyl)-methyl-amino]-methyl}-cyclohexylmethyl)-N*4*,N*4*-dimethyl-quinazoline-2,4-diamine
Type:
Small organic molecule
Emp. Form.:
C27H33BrF3N5O
Mol. Mass.:
580.483
SMILES:
CN(CC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1)Cc1ccc(Br)cc1OC(F)(F)F |(4.32,-25.77,;4.33,-27.31,;3,-28.08,;1.66,-27.31,;1.66,-25.77,;.33,-25,;-1,-25.77,;-2.33,-25,;-3.66,-25.77,;-4.99,-24.99,;-4.99,-23.45,;-6.34,-22.67,;-6.34,-21.14,;-7.67,-20.37,;-4.99,-20.37,;-7.67,-23.45,;-9,-22.67,;-10.33,-23.45,;-10.33,-24.99,;-9,-25.76,;-7.67,-24.99,;-6.34,-25.76,;-1,-27.31,;.33,-28.08,;5.66,-28.08,;6.99,-27.31,;6.96,-25.77,;8.29,-24.98,;9.64,-25.75,;10.97,-24.97,;9.65,-27.29,;8.32,-28.06,;8.32,-29.6,;9.66,-30.37,;10.88,-31.07,;9.93,-31.96,;11.16,-29.79,)|
Structure:
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