| Reaction Details |
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 | Report a problem with these data |
| Target | Beta-1/Beta-2/Beta-3 adrenergic receptor |
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| Ligand | BDBM50155153 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_305577 (CHEMBL828025) |
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| IC50 | >10000±n/a nM |
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| Citation |  Becker, DP; Flynn, DL; Shone, RL; Gullikson, G Azaadamantane benzamide 5-HT4 agonists: gastrointestinal prokinetic SC-54750. Bioorg Med Chem Lett14:5509-12 (2004) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Beta-1/Beta-2/Beta-3 adrenergic receptor |
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| Name: | Beta-1/Beta-2/Beta-3 adrenergic receptor |
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| Synonyms: | Adrenergic receptor beta |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 305577 |
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| Components: | This complex has 3 components. |
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| Component 1 |
| Name: | Beta-2 adrenergic receptor |
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| Synonyms: | ADRB2 | ADRB2R | ADRB2_HUMAN | B2AR | Beta-2 adrenoceptor | Beta-2 adrenoreceptor |
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| Type: | n/a |
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| Mol. Mass.: | 46461.69 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P07550 |
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| Residue: | 413 |
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| Sequence: | MGQPGNGSAFLLAPNGSHAPDHDVTQERDEVWVVGMGIVMSLIVLAIVFGNVLVITAIAK
FERLQTVTNYFITSLACADLVMGLAVVPFGAAHILMKMWTFGNFWCEFWTSIDVLCVTAS
IETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQE
AINCYANETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLQKIDKSEGRF
HVQNLSQVEQDGRTGHGLRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQD
NLIRKEVYILLNWIGYVNSGFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGYSSNGNT
GEQSGYHVEQEKENKLLCEDLPGTEDFVGHQGTVPSDNIDSQGRNCSTNDSLL
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| Component 2 |
| Name: | Beta-1 adrenergic receptor |
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| Synonyms: | ADRB1 | ADRB1R | ADRB1_HUMAN | B1AR | Beta-1 adrenoceptor | Beta-1 adrenoreceptor | adrenergic Beta1 |
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| Type: | G Protein-Coupled Receptor (GPCR) |
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| Mol. Mass.: | 51338.40 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P08588 |
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| Residue: | 477 |
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| Sequence: | MGAGVLVLGASEPGNLSSAAPLPDGAATAARLLVPASPPASLLPPASESPEPLSQQWTAG
MGLLMALIVLLIVAGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVV
WGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRARARGLVC
TVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIM
AFVYLRVFREAQKQVKKIDSCERRFLGGPARPPSPSPSPVPAPAPPPGPPRPAAAAATAP
LANGRAGKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRELVPDRLFV
FFNWLGYANSAFNPIIYCRSPDFRKAFQGLLCCARRAARRRHATHGDRPRASGCLARPGP
PPSPGAASDDDDDDVVGATPPARLLEPWAGCNGGAAADSDSSLDEPCRPGFASESKV
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| Component 3 |
| Name: | Beta-3 adrenergic receptor |
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| Synonyms: | ADRB3 | ADRB3R | ADRB3_HUMAN | B3AR | Beta-2 adrenergic receptor and beta-3 adrenergic receptor | Beta-3 adrenoceptor | Beta-3 adrenoreceptor | adrenergic Beta3 |
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| Type: | G Protein-Coupled Receptor (GPCR) |
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| Mol. Mass.: | 43534.88 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 408 |
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| Sequence: | MAPWPHENSSLAPWPDLPTLAPNTANTSGLPGVPWEAALAGALLALAVLATVGGNLLVIV
AIAWTPRLQTMTNVFVTSLAAADLVMGLLVVPPAATLALTGHWPLGATGCELWTSVDVLC
VTASIETLCALAVDRYLAVTNPLRYGALVTKRCARTAVVLVWVVSAAVSFAPIMSQWWRV
GADAEAQRCHSNPRCCAFASNMPYVLLSSSVSFYLPLLVMLFVYARVFVVATRQLRLLRG
ELGRFPPEESPPAPSRSLAPAPVGTCAPPEGVPACGRRPARLLPLREHRALCTLGLIMGT
FTLCWLPFFLANVLRALGGPSLVPGPAFLALNWLGYANSAFNPLIYCRSPDFRSAFRRLL
CRCGRRLPPEPCAAARPALFPSGVPAARSSPAQPRLCQRLDGASWGVS
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| BDBM50155153 |
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| n/a |
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| Name | BDBM50155153 |
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| Synonyms: | 4-Amino-N-(1-aza-tricyclo[3.3.1.1*3,7*]dec-4-ylmethyl)-5-chloro-2-methoxy-benzamide | CHEMBL3085015 |
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| Type | Small organic molecule |
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| Emp. Form. | C18H24ClN3O2 |
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| Mol. Mass. | 349.855 |
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| 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,)| |
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| Structure | 
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