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Name | Alpha-2A adrenergic receptor |
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Species | Homo sapiens (Human) |
Gene | ADRA2A |
Synonym | alpha2D alpha2A-AR alpha2A-adrenoceptor alpha2A-adrenergic receptor alpha2A [ Show all ] |
Disease | Attention deficit hyperactivity disorder Sexual dysfunction Pain |
Length | 450 |
Amino acid sequence | MGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVISFPPLISIEKKGGGGGPQPAEPRCEINDQKWYVISSCIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDAVAAPPGGTERRPNGLGPERSAGPGGAEAEPLPTQLNGAPGEPAPAGPRDTDALDLEESSSSDHAERPPGPRRPERGPRGKGKARASQVKPGDSLPRRGPGATGIGTPAAGPGEERVGAAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPRTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV |
UniProt | P08913 |
Protein Data Bank | N/A |
GPCR-HGmod model | P08913 |
3D structure model | This predicted structure model is from GPCR-EXP P08913. |
BioLiP | N/A |
Therapeutic Target Database | T11448 |
ChEMBL | CHEMBL1867 |
IUPHAR | 25 |
DrugBank | BE0000289 |
Name | CHEMBL198949 |
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Molecular formula | C23H25ClFN3O2 |
IUPAC name | N-[5-chloro-2-[(E)-3-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-3-oxoprop-1-enyl]phenyl]acetamide |
Molecular weight | 429.92 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 3.5 |
Synonyms | BDBM50174702 N-[5-CHLORO-2-[(1E)-3-[(2R)-4-[(4-FLUOROPHENYL)METHYL]-2-METHYL-1-PIPERAZINYL]-3-OXO-1-PROPEN-1-YL]PHENYL]-ACETAMIDE SCHEMBL3167879 685534-25-2 (R)-N-(2-(3-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)acetamide [ Show all ] |
Inchi Key | DUFKTZBQJIHIAQ-VGZDNEPHSA-N |
Inchi ID | InChI=1S/C23H25ClFN3O2/c1-16-14-27(15-18-3-8-21(25)9-4-18)11-12-28(16)23(30)10-6-19-5-7-20(24)13-22(19)26-17(2)29/h3-10,13,16H,11-12,14-15H2,1-2H3,(H,26,29)/b10-6+/t16-/m1/s1 |
PubChem CID | 11743399 |
ChEMBL | CHEMBL198949 |
IUPHAR | N/A |
BindingDB | 50174702 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | <1000.0 nM | PMID16198561 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218