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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 | CHEMBL372222 |
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Molecular formula | C25H26ClN5O2 |
IUPAC name | 3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-(4-methylphenyl)-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione |
Molecular weight | 463.966 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 4.0 |
Synonyms | 3-(2-(4-(2-chlorophenyl)piperazin-1-yl)ethyl)-6-p-tolyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione BDBM50164343 3-{2-[4-(2-Chloro-phenyl)-piperazin-1-yl]-ethyl}-6-p-tolyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione |
Inchi Key | DSHAQKQNBSNNEJ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H26ClN5O2/c1-17-6-8-18(9-7-17)20-16-21-23(27-20)24(32)31(25(33)28-21)15-12-29-10-13-30(14-11-29)22-5-3-2-4-19(22)26/h2-9,16,27H,10-15H2,1H3,(H,28,33) |
PubChem CID | 11751611 |
ChEMBL | CHEMBL372222 |
IUPHAR | N/A |
BindingDB | 50164343 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
pKb | 6.72 - | PMID16216506 | ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218