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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 | CHEMBL32391 |
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Molecular formula | C19H22Cl2N2O4 |
IUPAC name | 2-[2,6-dichloro-4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]anilino]acetic acid |
Molecular weight | 413.295 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 5 |
XlogP | 1.2 |
Synonyms | KDJXRWPCYRQOAD-WLRWDXFRSA-N [[4-[2-[[(1S,2R)-2-(4-Hydroxyphenyl)-2-hydroxy-1-methylethyl]amino]ethyl]-2,6-dichlorophenyl]amino]acetic acid N-[2,6-dichloro-4-[2-[[(1S, 2R)-2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl]amino]ethyl]phenyl]-aminoacetic acid SCHEMBL7107114 BDBM50409472 |
Inchi Key | KDJXRWPCYRQOAD-WLRWDXFRSA-N |
Inchi ID | InChI=1S/C19H22Cl2N2O4/c1-11(19(27)13-2-4-14(24)5-3-13)22-7-6-12-8-15(20)18(16(21)9-12)23-10-17(25)26/h2-5,8-9,11,19,22-24,27H,6-7,10H2,1H3,(H,25,26)/t11-,19-/m0/s1 |
PubChem CID | 9844606 |
ChEMBL | CHEMBL32391 |
IUPHAR | N/A |
BindingDB | 50409472 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
-Log EC20 | 4.54 - | PMID11311067 | ChEMBL |
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