Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAdrenergic receptor beta
LigandBDBM50181836
Substrate/Competitorn/a
Meas. Tech.ChEMBL_305577
IC50>10000±n/a nM
Citation Becker, DPFlynn, DLShone, RLGullikson, G Azaadamantane benzamide 5-HT4 agonists: gastrointestinal prokinetic SC-54750. Bioorg Med Chem Lett14:5509-12 (2004) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Adrenergic receptor beta
Name:Adrenergic receptor beta
Synonyms:n/a
Type:n/a
Mol. Mass.:n/a
Description:ASSAY_ID of ChEMBL is 305577
Components:This complex has 3 components.
Component 1
Name:Adrenergic beta-2 receptor (beta2)
Synonyms:ADRB2 | ADRB2R | ADRB2R, B2AR | B2AR | Beta-2 adrenergic receptor | Beta-2 adrenoceptor | Beta-2 adrenoreceptor | adrenergic Beta | adrenergic Beta2
Type:n/a
Mol. Mass.:46461.69
Organism:Homo sapiens (Human)
Description:n/a
Residue:413
Sequence:
MGQPGNGSAFLLAPNGSHAPDHDVTQERDEVWVVGMGIVMSLIVLAIVFGNVLVITAIAK
FERLQTVTNYFITSLACADLVMGLAVVPFGAAHILMKMWTFGNFWCEFWTSIDVLCVTAS
IETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQE
AINCYANETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLQKIDKSEGRF
HVQNLSQVEQDGRTGHGLRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQD
NLIRKEVYILLNWIGYVNSGFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGYSSNGNT
GEQSGYHVEQEKENKLLCEDLPGTEDFVGHQGTVPSDNIDSQGRNCSTNDSLL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 2
Name:Beta-1 adrenergic receptor
Synonyms:B1AR | Beta-1 adrenoceptor | Beta-1 adrenoreceptor | adrenergic Beta1
Type:G Protein-Coupled Receptor (GPCR)
Mol. Mass.:51338.40
Organism:Homo sapiens (human)
Description:n/a
Residue:477
Sequence:
MGAGVLVLGASEPGNLSSAAPLPDGAATAARLLVPASPPASLLPPASESPEPLSQQWTAG
MGLLMALIVLLIVAGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVV
WGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRARARGLVC
TVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIM
AFVYLRVFREAQKQVKKIDSCERRFLGGPARPPSPSPSPVPAPAPPPGPPRPAAAAATAP
LANGRAGKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRELVPDRLFV
FFNWLGYANSAFNPIIYCRSPDFRKAFQRLLCCARRAARRRHATHGDRPRASGCLARPGP
PPSPGAASDDDDDDVVGATPPARLLEPWAGCNGGAAADSDSSLDEPCRPGFASESKV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 3
Name:Beta-3 adrenergic receptor
Synonyms:ADRB3 | B3AR | Beta-3 adrenoceptor | Beta-3 adrenoreceptor | adrenergic Beta3
Type:G Protein-Coupled Receptor (GPCR)
Mol. Mass.:43534.88
Organism:Homo sapiens (human)
Description:n/a
Residue:408
Sequence:
MAPWPHENSSLAPWPDLPTLAPNTANTSGLPGVPWEAALAGALLALAVLATVGGNLLVIV
AIAWTPRLQTMTNVFVTSLAAADLVMGLLVVPPAATLALTGHWPLGATGCELWTSVDVLC
VTASIETLCALAVDRYLAVTNPLRYGALVTKRCARTAVVLVWVVSAAVSFAPIMSQWWRV
GADAEAQRCHSNPRCCAFASNMPYVLLSSSVSFYLPLLVMLFVYARVFVVATRQLRLLRG
ELGRFPPEESPPAPSRSLAPAPVGTCAPPEGVPACGRRPARLLPLREHRALCTLGLIMGT
FTLCWLPFFLANVLRALGGPSLVPGPAFLALNWLGYANSAFNPLIYCRSPDFRSAFRRLL
CRCGRRLPPEPCAAARPALFPSGVPAARSSPAQPRLCQRLDGASWGVS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50181836
NameBDBM50181836
Synonyms:4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5-chloro-2-methoxy-benzamide | 4-Amino-N-(1-aza-tricyclo[3.3.1.1*3,7*]dec-4-yl)-5-chloro-2-methoxy-benzamide | 4-Amino-N-(1R,3S,4R,7R)-1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl-5-chloro-2-methoxy-benzamide | 4-amino-N-1-azatricyclo[3.3.1.0~3,7~]non-4-yl-5-chloro-2-methoxybenzamide | BDBM50449569 | CHEMBL2448165 | CHEMBL319673 | SC-52491
TypeSmall organic molecule
Emp. Form.C16H20ClN3O2
Mol. Mass.321.802
SMILESCOc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C2CC3CN(CC13)C2 |r,TLB:12:13:16.15:18.19.21,15:14:19:16.17,THB:17:18:13:16.15,17:16:13:18.19.21,12:13:19:16.17,15:16:19:13.14.21|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a