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Name | Alpha-2B adrenergic receptor |
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Species | Homo sapiens (Human) |
Gene | ADRA2B |
Synonym | alpha2-C2 alpha2B alpha2B-adrenoceptor Alpha-2BAR alpha-2B adrenoreceptor [ Show all ] |
Disease | Neuropathic pain Alcohol use disorders |
Length | 450 |
Amino acid sequence | MDHQDPYSVQATAAIAAAITFLILFTIFGNALVILAVLTSRSLRAPQNLFLVSLAAADILVATLIIPFSLANELLGYWYFRRTWCEVYLALDVLFCTSSIVHLCAISLDRYWAVSRALEYNSKRTPRRIKCIILTVWLIAAVISLPPLIYKGDQGPQPRGRPQCKLNQEAWYILASSIGSFFAPCLIMILVYLRIYLIAKRSNRRGPRAKGGPGQGESKQPRPDHGGALASAKLPALASVASAREVNGHSKSTGEKEEGETPEDTGTRALPPSWAALPNSGQGQKEGVCGASPEDEAEEEEEEEEEEEECEPQAVPVSPASACSPPLQQPQGSRVLATLRGQVLLGRGVGAIGGQWWRRRAQLTREKRFTFVLAVVIGVFVLCWFPFFFSYSLGAICPKHCKVPHGLFQFFFWIGYCNSSLNPVIYTIFNQDFRRAFRRILCRPWTQTAW |
UniProt | P18089 |
Protein Data Bank | N/A |
GPCR-HGmod model | P18089 |
3D structure model | This predicted structure model is from GPCR-EXP P18089. |
BioLiP | N/A |
Therapeutic Target Database | T41580 |
ChEMBL | CHEMBL1942 |
IUPHAR | 26 |
DrugBank | BE0000572 |
Name | Aripiprazole |
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Molecular formula | C23H27Cl2N3O2 |
IUPAC name | 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one |
Molecular weight | 448.388 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 4.6 |
Synonyms | BMS-337039 7-(4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy)-3,4-dihydroquinolin-2(1H)-one CCG-100891 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one D01164 [ Show all ] |
Inchi Key | CEUORZQYGODEFX-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29) |
PubChem CID | 60795 |
ChEMBL | CHEMBL1112 |
IUPHAR | 34 |
BindingDB | 50130293 |
DrugBank | DB01238 |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
N/A | N/A | DrugBank | |
Ki | 102.0 nM | PMID12629531, http://pdsp.med.unc.edu/pdsp.php | PDSP,BindingDB |
Ki | 103.0 nM | PMID12784105 | PDSP,BindingDB |
Ki | 1000.0 nM | MedChemComm, (2012) 3:5:580 | ChEMBL |
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