Target
Beta-1/Beta-2/Beta-3 adrenergic receptor
Ligand
BDBM50031475
Substrate
n/a
Meas. Tech.
ChEMBL_38890 (CHEMBL651237)
Ki
>10000±n/a nM
Citation
 Flynn, DLZabrowski, DLBecker, DPNosal, RVillamil, CIGullikson, GWMoummi, CYang, DC SC-53116: the first selective agonist at the newly identified serotonin 5-HT4 receptor subtype. J Med Chem 35:1486-9 (1992) [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:
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:
Search PDB for entries with ligand similarity: