Ki Summary

Reaction Details

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Target

Beta-1 adrenergic receptor

Ligand

BDBM50160821

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_310480 (CHEMBL834424)

EC50

160±n/a nM

Citation

Sawa, M; Mizuno, K; Harada, H; Tateishi, H; Arai, Y; Suzuki, S; Oue, M; Tsujiuchi, H; Furutani, Y; Kato, S Tryptamine-based human beta3-adrenergic receptor agonists. Part 3: improved oral bioavailability via modification of the sulfonamide moiety. Bioorg Med Chem Lett15:1061-4 (2005) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Beta-1 adrenergic receptor

Name:

Beta-1 adrenergic receptor

Synonyms:

Type:

G Protein-Coupled Receptor (GPCR)

Mol. Mass.:

51338.40

Organism:

Homo sapiens (Human)

Description:

P08588

Residue:

477

Sequence:

MGAGVLVLGASEPGNLSSAAPLPDGAATAARLLVPASPPASLLPPASESPEPLSQQWTAG
MGLLMALIVLLIVAGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVV
WGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRARARGLVC
TVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIM
AFVYLRVFREAQKQVKKIDSCERRFLGGPARPPSPSPSPVPAPAPPPGPPRPAAAAATAP
LANGRAGKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRELVPDRLFV
FFNWLGYANSAFNPIIYCRSPDFRKAFQGLLCCARRAARRRHATHGDRPRASGCLARPGP
PPSPGAASDDDDDDVVGATPPARLLEPWAGCNGGAAADSDSSLDEPCRPGFASESKV

BDBM50160821

n/a

Name

BDBM50160821

Synonyms:

CHEMBL182770 | Methanesulfonic acid 3-((R)-2-{(R)-2-hydroxy-2-[3-(3-methyl-but-2-enylamino)-phenyl]-ethylamino}-propyl)-1H-indol-7-yl ester

Type

Small organic molecule

Emp. Form.

C25H33N3O4S

Mol. Mass.

471.612

SMILES

C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCC=C(C)C)c1 |wU:19.21,1.0,(1.08,-.52,;1.1,1.02,;2.42,1.8,;3.76,1.02,;3.76,-.52,;5.08,-1.3,;6.43,-.52,;7.75,-1.28,;7.72,-2.83,;9.06,-3.6,;10.38,-2.83,;9.06,-5.15,;7.72,-4.37,;9.08,-.52,;9.08,1.02,;7.75,1.77,;6.43,1.02,;-.24,1.8,;-1.56,1.02,;-2.9,1.77,;-2.92,3.32,;-4.24,1,;-4.24,-.55,;-5.58,-1.32,;-6.92,-.55,;-6.92,1,;-8.24,1.77,;-9.58,1,;-10.9,1.76,;-12.23,.98,;-13.57,1.75,;-12.23,-.56,;-5.58,1.77,)|

Structure