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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 | ABT-866 |
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Molecular formula | C12H15N3O2S |
IUPAC name | N-[3-(1H-imidazol-5-ylmethyl)phenyl]ethanesulfonamide |
Molecular weight | 265.331 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 1.4 |
Synonyms | Ethanesulfonic acid [3-(1H-imidazol-4-ylmethyl)-phenyl]-amide ABT 866 N-[3-(1H-imidazol-4-ylmethyl)-phenyl]ethanesulfonamide 258526-74-8 Ethanesulfonamide, N-(3-(1H-imidazol-5-ylmethyl)phenyl)- [ Show all ] |
Inchi Key | ROUIPNDCVDWYEH-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14) |
PubChem CID | 9838192 |
ChEMBL | CHEMBL326702 |
IUPHAR | N/A |
BindingDB | 50118705 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | <10000.0 nM | PMID18400496 | BindingDB,ChEMBL |
Ki | 169.82 nM | PMID15163201, Med Chem Res, (2004) 13:3:134 | ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417