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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 | WB-4101 |
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Molecular formula | C19H23NO5 |
IUPAC name | N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine |
Molecular weight | 345.395 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 2.9 |
Synonyms | L000625 N-(2-(2,6-Dimethoxyphenoxy)ethyl)-2,3-dihydro-1,4-benzodioxin-2-methanamine SPBio_001510 WB4101 (2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)(2-(2,6-dimethoxyphenoxy)ethyl)ammonium chloride [ Show all ] |
Inchi Key | GYSZUJHYXCZAKI-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3 |
PubChem CID | 5685 |
ChEMBL | CHEMBL25554 |
IUPHAR | 499 |
BindingDB | 69602 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Kd | 0.309 nM | PMID11931617, PMID16216506 | BindingDB,ChEMBL |
Kd | 0.4365 nM | PMID17125266, PMID12672251 | ChEMBL |
Kd | 0.437 nM | PMID12672251 | BindingDB |
Kd | 0.537 nM | PMID11931617 | BindingDB,ChEMBL |
Kd | 0.6607 nM | PMID17125266 | ChEMBL |
Ki | 0.0630957 nM | PMID11331292 | IUPHAR |
Ki | 0.08 nM | PMID7658428 | BindingDB,ChEMBL |
Ki | 1.29 nM | PMID8667368 | BindingDB,ChEMBL |
pKb | 9.36 - | PMID10514291, PMID10425105 | ChEMBL |
pKB | 9.48 - | PMID14584940 | ChEMBL |
pKb | 9.51 - | PMID18817363, PMID20801662 | ChEMBL |
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