Target
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor
Ligand
BDBM50155153
Substrate
n/a
Meas. Tech.
ChEMBL_305672 (CHEMBL827941)
IC50
>10000±n/a nM
Citation
 Becker, DPFlynn, DLShone, RLGullikson, G Azaadamantane benzamide 5-HT4 agonists: gastrointestinal prokinetic SC-54750. Bioorg Med Chem Lett 14:5509-12 (2004) [PubMed]  Article 
Target
Name:
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor
Synonyms:
Adrenergic Receptors (alpha 2) | Adrenergic receptor alpha-2
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 305672
Components:
This complex has 3 components.
Component 1
Name:
Alpha-2B adrenergic receptor
Synonyms:
ADA2B_HUMAN | ADRA2B | ADRA2L1 | ADRA2RL1 | Adrenergic alpha2B | Adrenergic receptor | Adrenergic receptor alpha | Adrenergic, alpha-2B-, receptor [Homo sapiens] | Alpha-2 adrenergic receptor subtype C2 | Alpha-2B adrenoceptor | Alpha-2B adrenoreceptor | Alpha-2BAR
Type:
Enzyme
Mol. Mass.:
49964.20
Organism:
Homo sapiens (Human)
Description:
P18089
Residue:
450
Sequence:
MDHQDPYSVQATAAIAAAITFLILFTIFGNALVILAVLTSRSLRAPQNLFLVSLAAADILVATLIIPFSLANELLGYWYFRRTWCEVYLALDVLFCTSSIVHLCAISLDRYWAVSRALEYNSKRTPRRIKCIILTVWLIAAVISLPPLIYKGDQGPQPRGRPQCKLNQEAWYILASSIGSFFAPCLIMILVYLRIYLIAKRSNRRGPRAKGGPGQGESKQPRPDHGGALASAKLPALASVASAREVNGHSKSTGEKEEGETPEDTGTRALPPSWAALPNSGQGQKEGVCGASPEDEAEEEEEEEEEEEECEPQAVPVSPASACSPPLQQPQGSRVLATLRGQVLLGRGVGAIGGQWWRRRAQLTREKRFTFVLAVVIGVFVLCWFPFFFSYSLGAICPKHCKVPHGLFQFFFWIGYCNSSLNPVIYTIFNQDFRRAFRRILCRPWTQTAW
  
Component 2
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
  
Component 3
Name:
Alpha-2C adrenergic receptor
Synonyms:
ADA2C_HUMAN | ADRA2C | ADRA2L2 | ADRA2RL2 | Adrenergic alpha2C | Adrenergic receptor | Adrenergic receptor alpha | Adrenergic, alpha-2C-, receptor | Alpha-2 adrenergic receptor subtype C4 | Alpha-2C adrenoceptor | Alpha-2C adrenoreceptor | adrenergic, alpha-2C-, receptor [Homo sapiens]
Type:
Enzyme
Mol. Mass.:
49552.32
Organism:
Homo sapiens (Human)
Description:
P18825
Residue:
462
Sequence:
MASPALAAALAVAAAAGPNASGAGERGSGGVANASGASWGPPRGQYSAGAVAGLAAVVGFLIVFTVVGNVLVVIAVLTSRALRAPQNLFLVSLASADILVATLVMPFSLANELMAYWYFGQVWCGVYLALDVLFCTSSIVHLCAISLDRYWSVTQAVEYNLKRTPRRVKATIVAVWLISAVISFPPLVSLYRQPDGAAYPQCGLNDETWYILSSCIGSFFAPCLIMGLVYARIYRVAKLRTRTLSEKRAPVGPDGASPTTENGLGAAAGAGENGHCAPPPADVEPDESSAAAERRRRRGALRRGGRRRAGAEGGAGGADGQGAGPGAAESGALTASRSPGPGGRLSRASSRSVEFFLSRRRRARSSVCRRKVAQAREKRFTFVLAVVMGVFVLCWFPFFFSYSLYGICREACQVPGPLFKFFFWIGYCNSSLNPVIYTVFNQDFRRSFKHILFRRRRRGFRQ
  
Inhibitor
Name:
BDBM50155153
Synonyms:
4-Amino-N-(1-aza-tricyclo[3.3.1.1*3,7*]dec-4-ylmethyl)-5-chloro-2-methoxy-benzamide | CHEMBL3085015
Type:
Small organic molecule
Emp. Form.:
C18H24ClN3O2
Mol. Mass.:
349.855
SMILES:
COc1cc(N)c(Cl)cc1C(=O)NCC1C2CC3CC1CN(C3)C2 |TLB:14:15:19.20.18:22,13:14:20:17.18.22,THB:16:15:20:17.18.22,16:17:15.14.23:20,14:19:15.23.16:22,(-1.58,-4.14,;-1.58,-2.61,;-2.91,-1.83,;-4.24,-2.61,;-5.57,-1.83,;-6.92,-2.61,;-5.57,-.29,;-6.9,.48,;-4.24,.48,;-2.91,-.29,;-1.58,.49,;-1.59,2.04,;-.25,-.26,;1.08,.49,;2.43,-.26,;4.02,.44,;5.42,-.05,;6.33,1.04,;4.81,.48,;3.32,1.02,;3.25,2.53,;4.8,3.07,;6.26,2.56,;4.01,1.86,)|
Structure:
Search PDB for entries with ligand similarity: