Reaction Details |
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Target | Beta-1/Beta-2/Beta-3 adrenergic receptor |
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Ligand | BDBM50031475 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_38890 (CHEMBL651237) |
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Ki | >10000±n/a nM |
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Citation | Flynn, DL; Zabrowski, DL; Becker, DP; Nosal, R; Villamil, CI; Gullikson, GW; Moummi, C; Yang, DC SC-53116: the first selective agonist at the newly identified serotonin 5-HT4 receptor subtype. J Med Chem35:1486-9 (1992) [PubMed] |
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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 |
Synonyms: | Adrenergic receptor beta |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 1340543 |
Components: | This complex has 3 components. |
Component 1 |
Name: | Beta-1 adrenergic receptor |
Synonyms: | ADRB1R, B1AR | ADRB1_RAT | Adrb1 | Adrb1r | Adrenergic receptor beta | Beta-1 adrenoceptor | Beta-1 adrenoreceptor | adrenergic Beta1 | adrenergic Beta1,2 |
Type: | Protein |
Mol. Mass.: | 50486.84 |
Organism: | Rattus norvegicus (Rat) |
Description: | P18090 |
Residue: | 466 |
Sequence: | MGAGALALGASEPCNLSSAAPLPDGAATAARLLVLASPPASLLPPASEGSAPLSQQWTAG
MGLLLALIVLLIVVGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVV
WGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITLPFRYQSLLTRARARALVC
TVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIM
AFVYLRVFREAQKQVKKIDSCERRFLTGPPRPPSPAPSPSPGPPRPADSLANGRSSKRRP
SRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRDLVPDRLFVFFNWLGYANSA
FNPIIYCRSPDFRKAFQRLLCCARRAACRRRAAHGDRPRASGCLARAGPPPSPGAPSDDD
DDDAGATPPARLLEPWAGCNGGTTTVDSDSSLDEPGRQGFSSESKV
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Component 2 |
Name: | Beta-2 adrenergic receptor |
Synonyms: | ADRB2_RAT | Adrb2 | Adrb2r | Adrenergic receptor beta |
Type: | PROTEIN |
Mol. Mass.: | 46896.26 |
Organism: | Rattus norvegicus |
Description: | ChEMBL_38603 |
Residue: | 418 |
Sequence: | MEPHGNDSDFLLAPNGSRAPGHDITQERDEAWVVGMAILMSVIVLAIVFGNVLVITAIAK
FERLQTVTNYFITSLACADLVMGLAVVPFGASHILMKMWNFGNFWCEFWTSIDVLCVTAS
IETLCVIAVDRYVAITSPFKYQSLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRATHKQ
AIDCYAKETCCDFFTNQAYAIASSIVSFYVPLVVMVFVYSRVFQVAKRQLQKIDKSEGRF
HAQNLSQVEQDGRSGHGLRSSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIRA
NLIPKEVYILLNWLGYVNSAFNPLIYCRSPDFRIAFQELLCLRRSSSKTYGNGYSSNSNG
RTDYTGEQSAYQLGQEKENELLCEEAPGMEGFVNCQGTVPSLSIDSQGRNCNTNDSPL
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Component 3 |
Name: | Beta-3 adrenergic receptor |
Synonyms: | ADRB3_RAT | Adrb3 | Adrb3r | Adrenergic receptor beta | Beta-3 adrenergic receptor |
Type: | PROTEIN |
Mol. Mass.: | 43161.83 |
Organism: | Rattus norvegicus |
Description: | ChEMBL_1509452 |
Residue: | 400 |
Sequence: | MAPWPHKNGSLAFWSDAPTLDPSAANTSGLPGVPWAAALAGALLALATVGGNLLVITAIA
RTPRLQTITNVFVTSLATADLVVGLLVMPPGATLALTGHWPLGATGCELWTSVDVLCVTA
SIETLCALAVDRYLAVTNPLRYGTLVTKRRARAAVVLVWIVSATVSFAPIMSQWWRVGAD
AEAQECHSNPRCCSFASNMPYALLSSSVSFYLPLLVMLFVYARVFVVAKRQRRLLRRELG
RFPPEESPRSPSRSPSPATVGTPTASDGVPSCGRRPARLLPLGEHRALRTLGLIMGIFSL
CWLPFFLANVLRALVGPSLVPSGVFIALNWLGYANSAFNPLIYCRSPDFRDAFRRLLCSY
GGRGPEEPRVVTFPASPVASRQNSPLNRFDGYEGERPFPT
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BDBM50031475 |
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n/a |
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Name | BDBM50031475 |
Synonyms: | 4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-2-((R)-methoxy)-benzamide | 4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-2-methoxy-benzamide | 4-Amino-N-(R)-1-aza-bicyclo[2.2.2]oct-3-yl-5-chloro-2-methoxy-benzamide | CHEMBL27846 | ZACOPRIDE,S |
Type | Small organic molecule |
Emp. Form. | C15H20ClN3O2 |
Mol. Mass. | 309.791 |
SMILES | COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CN2CCC1CC2 |wU:13.13,TLB:12:13:17.16:19.20,(11.11,-14.18,;11.11,-12.63,;9.77,-11.88,;8.43,-12.66,;7.09,-11.89,;5.75,-12.66,;7.09,-10.33,;5.76,-9.57,;8.43,-9.56,;9.75,-10.36,;11.09,-9.59,;11.11,-8.04,;12.44,-10.36,;13.77,-9.59,;14.8,-8.58,;16.63,-8.19,;17.94,-9.45,;16.9,-10.39,;15.57,-9.1,;15.88,-7.77,;16.88,-7.14,)| |
Structure |
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