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Name | Alpha-1B adrenergic receptor |
---|---|
Species | Homo sapiens (Human) |
Gene | ADRA1B |
Synonym | alpha1B-adrenoceptor alpha1B-adrenergic receptor Alpha-1B adrenoreceptor Alpha-1B adrenoceptor alpha 1B-adrenoreceptor [ Show all ] |
Disease | Psychiatric disorder Hypertension Exogenous obesity Attention deficit hyperactivity disorder |
Length | 520 |
Amino acid sequence | MNPDLDTGHNTSAPAHWGELKNANFTGPNQTSSNSTLPQLDITRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAMADLLLSFTVLPFSAALEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFVRILGCQCRGRGRRRRRRRRRLGGCAYTYRPWTRGGSLERSQSRKDSLDDSGSCLSGSQRTLPSASPSPGYLGRGAPPPVELCAFPEWKAPGALLSLPAPEPPGRRGRHDSGPLFTFKLLTEPESPGTDGGASNGGCEAAADVANGQPGFKSNMPLAPGQF |
UniProt | P35368 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | T29500 |
ChEMBL | CHEMBL232 |
IUPHAR | 23 |
DrugBank | BE0000575 |
Name | CHEMBL3342860 |
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Molecular formula | C27H32F3N3O4 |
IUPAC name | [3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-[4-(trifluoromethyl)phenyl]methanone |
Molecular weight | 519.565 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 0 |
XlogP | 3.9 |
Synonyms | BDBM50099444 |
Inchi Key | AEOKAVWIADBGHU-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H32F3N3O4/c1-35-24-5-3-2-4-23(24)32-16-14-31(15-17-32)18-22-19-36-26(37-22)10-12-33(13-11-26)25(34)20-6-8-21(9-7-20)27(28,29)30/h2-9,22H,10-19H2,1H3 |
PubChem CID | 118716707 |
ChEMBL | CHEMBL3342860 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 63.1 nM | PMID25261823 | ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417