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Target
Beta-1/Beta-2/Beta-3 adrenergic receptor
Ligand
BDBM50227813
Substrate
n/a
Meas. Tech.
ChEMBL_38884 (CHEMBL652715)
Ki
18000±n/a nM
Citation
 Wu, ES; Cole, TE; Davidson, TA; Dailey, MA; Doring, KG; Fedorchuk, M; Loch, JT; Thomas, TL; Blosser, JC; Borrelli, AR Flavones. 2. Synthesis and structure-activity relationship of flavodilol and its analogues, a novel class of antihypertensive agents with catecholamine depleting properties. J Med Chem 32:183-92 (1989) [PubMed]  Article 
Target
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:
MGAGALALGASEPCNLSSAAPLPDGAATAARLLVLASPPASLLPPASEGSAPLSQQWTAGMGLLLALIVLLIVVGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITLPFRYQSLLTRARARALVCTVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLTGPPRPPSPAPSPSPGPPRPADSLANGRSSKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRDLVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQRLLCCARRAACRRRAAHGDRPRASGCLARAGPPPSPGAPSDDDDDDAGATPPARLLEPWAGCNGGTTTVDSDSSLDEPGRQGFSSESKV
  
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:
MEPHGNDSDFLLAPNGSRAPGHDITQERDEAWVVGMAILMSVIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGASHILMKMWNFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYVAITSPFKYQSLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRATHKQAIDCYAKETCCDFFTNQAYAIASSIVSFYVPLVVMVFVYSRVFQVAKRQLQKIDKSEGRFHAQNLSQVEQDGRSGHGLRSSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIRANLIPKEVYILLNWLGYVNSAFNPLIYCRSPDFRIAFQELLCLRRSSSKTYGNGYSSNSNGRTDYTGEQSAYQLGQEKENELLCEEAPGMEGFVNCQGTVPSLSIDSQGRNCNTNDSPL
  
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:
MAPWPHKNGSLAFWSDAPTLDPSAANTSGLPGVPWAAALAGALLALATVGGNLLVITAIARTPRLQTITNVFVTSLATADLVVGLLVMPPGATLALTGHWPLGATGCELWTSVDVLCVTASIETLCALAVDRYLAVTNPLRYGTLVTKRRARAAVVLVWIVSATVSFAPIMSQWWRVGADAEAQECHSNPRCCSFASNMPYALLSSSVSFYLPLLVMLFVYARVFVVAKRQRRLLRRELGRFPPEESPRSPSRSPSPATVGTPTASDGVPSCGRRPARLLPLGEHRALRTLGLIMGIFSLCWLPFFLANVLRALVGPSLVPSGVFIALNWLGYANSAFNPLIYCRSPDFRDAFRRLLCSYGGRGPEEPRVVTFPASPVASRQNSPLNRFDGYEGERPFPT
  
Inhibitor
Name:
BDBM50227813
Synonyms:
CHEMBL293974
Type:
Small organic molecule
Emp. Form.:
C22H25NO4
Mol. Mass.:
367.4382
SMILES:
CC(C)(C)NCC(O)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: