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Reaction Details
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TargetAdrenergic receptor beta
LigandBDBM50225367
Substrate/Competitorn/a
Meas. Tech.ChEMBL_38760
Kd 1.3±n/a nM
Citation Liptak, AKusiak, JWPitha, J Alkylating beta-blockers: activity of isomeric bromoacetyl alprenolol menthanes. J Med Chem28:1699-703 (1985) [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 39355
Components:This complex has 3 components.
Component 1
Name:Adrenergic receptor beta
Synonyms:ADRB1R, B1AR | Beta-1 adrenergic receptor | 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:Adrenergic receptor beta
Synonyms:Beta-2 adrenergic receptor
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:Adrenergic receptor beta
Synonyms: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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BDBM50225367
NameBDBM50225367
Synonyms:BROMOACETYL ALPRENOLOL MENTHANE | Bromoacetyl Alprenolol Menthane
TypeSmall organic molecule
Emp. Form.C24H37BrN2O3
Mol. Mass.481.466
SMILESCC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C |(13.93,-2.74,;12.84,-3.85,;13.26,-5.32,;14.34,-4.24,;15.41,-3.15,;15.02,-1.65,;16.9,-3.54,;17.3,-5.04,;11.37,-3.44,;10.1,-3.86,;8.48,-3.25,;7.73,-4.59,;7.12,-5.53,;8.9,-4.17,;10.6,-4.79,;7.32,-2.45,;5.78,-2.42,;5.05,-1.07,;5.52,.48,;3.51,-1.04,;2.71,-2.35,;1.17,-2.32,;.36,-3.66,;-1.18,-3.6,;-1.91,-2.26,;-1.09,-.94,;.43,-.97,;1.23,.34,;.49,1.69,;-1.05,1.72,)|
Structure
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