Reaction Details |
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Target | Beta-1/Beta-2/Beta-3 adrenergic receptor |
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Ligand | BDBM50289372 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_215874 (CHEMBL821284) |
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IC50 | 1540±n/a nM |
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Citation | Iseki, K; Oishi, S; Sasai, H; Shibasaki, M SYNTHESIS AND BIOLOGICAL EVALUATION OF A FLUORINATED ANALOG OF THE β-ADRENERGIC BLOCKING AGENT, METOPROLOL Bioorg Med Chem Lett7:1273-1274 (1997) 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 |
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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BDBM50289372 |
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n/a |
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Name | BDBM50289372 |
Synonyms: | (S)-1,1-Difluoro-3-isopropylamino-1-[4-(2-methoxy-ethyl)-phenoxy]-propan-2-ol | CHEMBL23929 |
Type | Small organic molecule |
Emp. Form. | C15H23F2NO3 |
Mol. Mass. | 303.3448 |
SMILES | COCCc1ccc(OC(F)(F)[C@@H](O)CNC(C)C)cc1 |
Structure |
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