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GPCR

Name	Alpha-2A adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA2A
Synonym	alpha2D alpha2A-AR alpha2A-adrenoceptor alpha2A-adrenergic receptor alpha2A Alpha-2AAR Adra-2 Adra-2a ADRA2 ADRA2R Adrenergic alpha 2A receptor adrenergic receptor Alpha-2 adrenergic receptor subtype C10 Alpha-2A adrenoceptor Alpha-2A adrenoreceptor [ 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

Ligand

Name	A-119637
Molecular formula	C25H26N4O3S
IUPAC name	3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
Molecular weight	462.568
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.9
Synonyms	3-[2-[4-(2-Methoxyphenyl)piperazino]ethyl]-5-phenyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-2,4-dione GTPL490 A119637 3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione CHEMBL268758 A 119637 SCHEMBL7837611 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-phenyl-1H-thieno[3,2-e]pyrimidine-2,4-dione BDBM50099322 D0Q7ZR [ Show all ]
Inchi Key	HLVQBOYEHQRWHG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H26N4O3S/c1-32-21-10-6-5-9-20(21)28-14-11-27(12-15-28)13-16-29-24(30)22-19(18-7-3-2-4-8-18)17-33-23(22)26-25(29)31/h2-10,17H,11-16H2,1H3,(H,26,31)
PubChem CID	9890547
ChEMBL	CHEMBL268758
IUPHAR	490
BindingDB	50099322
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	77.8 nM	PMID11354357	ChEMBL
Ki	78.0 nM	PMID11354357	BindingDB

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