You can:
Name | Alpha-1B adrenergic receptor |
---|---|
Species | Mesocricetus auratus (Golden hamster) |
Gene | ADRA1B |
Synonym | Alpha-1B adrenoceptor Alpha-1B adrenoreceptor |
Disease | N/A for non-human GPCRs |
Length | 515 |
Amino acid sequence | MNPDLDTGHNTSAPAQWGELKDANFTGPNQTSSNSTLPQLDVTRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAIADLLLSFTVLPFSATLEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFMRILGCQCRSGRRRRRRRRLGACAYTYRPWTRGGSLERSQSRKDSLDDSGSCMSGSQRTLPSASPSPGYLGRGAQPPLELCAYPEWKSGALLSLPEPPGRRGRLDSGPLFTFKLLGEPESPGTEGDASNGGCDATTDLANGQPGFKSNMPLAPGHF |
UniProt | P18841 |
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 | CHEMBL3122 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL289627 |
---|---|
Molecular formula | C26H24N4O3S |
IUPAC name | 3-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]ethyl]-2,4-dioxo-1H-[1]benzothiolo[3,2-d]pyrimidine-6-carbonitrile |
Molecular weight | 472.563 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 3.9 |
Synonyms | 3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-2,4-dioxo-1,2,3,4-tetrahydro-benzo[4,5]thieno[3,2-d]pyrimidine-6-carbonitrile BDBM50087499 3-[2-[[(3aR,9bR)-6-Methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]isoindole]-2-yl]ethyl]-2,4-dioxo-1,2,3,4-tetrahydro[1]benzothieno[3,2-d]pyrimidine-6-carbonitrile |
Inchi Key | QTWYCMUXHLMHPF-OXJNMPFZSA-N |
Inchi ID | InChI=1S/C26H24N4O3S/c1-33-21-7-3-5-17-18(21)9-8-16-13-29(14-20(16)17)10-11-30-25(31)24-22(28-26(30)32)19-6-2-4-15(12-27)23(19)34-24/h2-7,16,20H,8-11,13-14H2,1H3,(H,28,32)/t16-,20+/m0/s1 |
PubChem CID | 10839389 |
ChEMBL | CHEMBL289627 |
IUPHAR | N/A |
BindingDB | 50087499 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 26.9 nM | PMID10780916 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417