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Name | Beta-1 adrenergic receptor |
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Species | Sus scrofa (Pig) |
Gene | ADRB1 |
Synonym | Beta-1 adrenoceptor Beta-1 adrenoreceptor |
Disease | N/A for non-human GPCRs |
Length | 468 |
Amino acid sequence | MGAGALALGASEPCNLSSAAPLPDGAATAARLLVPASPPASLLTPASEGSVQLSQQWTAGMGLLMALIVLLIVAGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRAARALVCTVWAISALVSFLPILMHWWRDKGAEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLGSPARPPSPAPSPGSPLPAAAAAAPVANGRTSKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRDLVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQRLLCCARRVARGSCAAAGDGPRASGCLAVARPPPSPGAASDDDDDEEDVGAAPPAPLLEPWAGYNGGAARDSDSSLDERTPGGRASESKV |
UniProt | Q28998 |
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 | CHEMBL4351 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL2443003 |
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Molecular formula | C20H28FN5O5 |
IUPAC name | (2S,3S,4S,5R,6R)-2-(fluoromethyl)-6-[4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]triazol-1-yl]oxane-3,4,5-triol |
Molecular weight | 437.472 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 3 |
XlogP | -0.6 |
Synonyms | BDBM50442753 |
Inchi Key | WHDATORJGMRETC-OUUBHVDSSA-N |
Inchi ID | InChI=1S/C20H28FN5O5/c1-30-15-5-3-2-4-14(15)25-8-6-24(7-9-25)11-13-12-26(23-22-13)20-19(29)18(28)17(27)16(10-21)31-20/h2-5,12,16-20,27-29H,6-11H2,1H3/t16-,17-,18+,19-,20-/m1/s1 |
PubChem CID | 72545010 |
ChEMBL | CHEMBL2443003 |
IUPHAR | N/A |
BindingDB | 50442753 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 2500.0 nM | PMID24100078 | BindingDB,ChEMBL |
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