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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 | CHEMBL384925 |
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Molecular formula | C28H30N4 |
IUPAC name | 3-benzyl-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine |
Molecular weight | 422.576 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 6.0 |
Synonyms | BDBM50196128 (3-benzyl-2-methylquinolin-4-yl)-[4-(4-methylpiperazin-1-yl)-phenyl]amine |
Inchi Key | CNOXIXMPZLKURQ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H30N4/c1-21-26(20-22-8-4-3-5-9-22)28(25-10-6-7-11-27(25)29-21)30-23-12-14-24(15-13-23)32-18-16-31(2)17-19-32/h3-15H,16-20H2,1-2H3,(H,29,30) |
PubChem CID | 16090621 |
ChEMBL | CHEMBL384925 |
IUPHAR | N/A |
BindingDB | 50196128 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Kb | 590.0 nM | PMID17034141 | ChEMBL |
Ki | 580.0 nM | PMID17034141 | BindingDB,ChEMBL |
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