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Name | Alpha-1A adrenergic receptor |
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Species | Rattus norvegicus (Rat) |
Gene | Adra1a |
Synonym | alpha1c alpha1A-adrenoceptor alpha1a Alpha-1C adrenergic receptor Alpha-1A adrenoreceptor [ Show all ] |
Disease | N/A for non-human GPCRs |
Length | 466 |
Amino acid sequence | MVLLSENASEGSNCTHPPAPVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGVRALLCVWVLSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNVPAEGGGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTLHPPSQALEGQHRDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPQGSARITVPKDQSACTTARVRSKSFLQVCCCVGSSAPRPEENHQVPTIKIHTISLGENGEEV |
UniProt | P43140 |
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 | CHEMBL319 |
IUPHAR | 22 |
DrugBank | N/A |
Name | CHEMBL38041 |
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Molecular formula | C20H27N3O2 |
IUPAC name | 1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-propan-2-ylbenzimidazol-2-one |
Molecular weight | 341.455 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 0 |
XlogP | 2.8 |
Synonyms | BDBM50005834 1-Isopropyl-3-[2-(8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-acetyl]-1,3-dihydro-benzoimidazol-2-one |
Inchi Key | DKNCSSURJOYOSO-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H27N3O2/c1-13(2)22-17-6-4-5-7-18(17)23(20(22)25)19(24)12-14-10-15-8-9-16(11-14)21(15)3/h4-7,13-16H,8-12H2,1-3H3 |
PubChem CID | 44283512 |
ChEMBL | CHEMBL38041 |
IUPHAR | N/A |
BindingDB | 50005834 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | <10000.0 nM | PMID1573641 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417