Target
Beta-1/Beta-2/Beta-3 adrenergic receptor
Ligand
BDBM50226716
Substrate
n/a
Meas. Tech.
ChEMBL_38764 (CHEMBL653138)
Ki
0.610000±n/a nM
Citation
 Pitha, JBuchowiecki, WMilecki, JKusiak, JW Affinity labels for beta-adrenoceptors: preparation and properties of alkylating beta-blockers derived from indole. J Med Chem 30:612-5 (1987) [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:
BDBM50226716
Synonyms:
CHEMBL348176
Type:
Small organic molecule
Emp. Form.:
C24H33BrN4O3
Mol. Mass.:
505.448
SMILES:
CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1cccc2[nH]c(cc12)C#N |(2.48,-10.11,;2.5,-8.58,;2.48,-7.04,;4.04,-8.58,;4.82,-9.89,;4.04,-11.23,;6.35,-9.89,;7.12,-11.23,;.97,-8.58,;-.26,-7.82,;-2.36,-8.12,;-2.89,-6.42,;-4.43,-6.42,;-1.56,-7.19,;.41,-6.89,;-2.89,-4.88,;-4.23,-4.12,;-5.56,-4.91,;-6.9,-4.14,;-5.54,-6.44,;-6.88,-7.21,;-6.86,-8.76,;-8.2,-9.52,;-8.2,-11.06,;-6.86,-11.83,;-5.53,-11.06,;-4.19,-11.83,;-2.84,-11.03,;-2.86,-9.49,;-5.53,-9.52,;-1.46,-11.85,;-.07,-12.65,)|
Structure:
Search PDB for entries with ligand similarity: