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Name | Beta-1 adrenergic receptor |
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Species | Rattus norvegicus (Rat) |
Gene | Adrb1 |
Synonym | adrenergic receptor beta1-adrenoceptor Beta-1 adrenoreceptor Beta-1 adrenoceptor beta-1 adrenergic receptor [ Show all ] |
Disease | N/A for non-human GPCRs |
Length | 466 |
Amino acid sequence | MGAGALALGASEPCNLSSAAPLPDGAATAARLLVLASPPASLLPPASEGSAPLSQQWTAGMGLLLALIVLLIVVGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITLPFRYQSLLTRARARALVCTVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLTGPPRPPSPAPSPSPGPPRPADSLANGRSSKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRDLVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQRLLCCARRAACRRRAAHGDRPRASGCLARAGPPPSPGAPSDDDDDDAGATPPARLLEPWAGCNGGTTTVDSDSSLDEPGRQGFSSESKV |
UniProt | P18090 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL3252 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL163154 |
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Molecular formula | C34H56N6O6 |
IUPAC name | 2-[6-[[2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]anilino]-2-oxoethyl]amino]hexylamino]-N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide |
Molecular weight | 644.858 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 8 |
XlogP | 2.0 |
Synonyms | N/A |
Inchi Key | JFRXWKSHJKGEAT-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C34H56N6O6/c1-25(2)37-19-29(41)23-45-31-13-9-27(10-14-31)39-33(43)21-35-17-7-5-6-8-18-36-22-34(44)40-28-11-15-32(16-12-28)46-24-30(42)20-38-26(3)4/h9-16,25-26,29-30,35-38,41-42H,5-8,17-24H2,1-4H3,(H,39,43)(H,40,44) |
PubChem CID | 13755663 |
ChEMBL | CHEMBL163154 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
KD' | 5e-06 M | PMID3031293 | ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417