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GLASS

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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	CHEMBL1221545
Molecular formula	C25H31N3O3S
IUPAC name	N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-2-sulfonamide
Molecular weight	453.601
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.5
Synonyms	BDBM50324890 N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)naphthalene-2-sulfonamide
Inchi Key	AUMIZIKCBYPWJM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H31N3O3S/c1-31-25-11-5-4-10-24(25)28-18-16-27(17-19-28)15-7-6-14-26-32(29,30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20,26H,6-7,14-19H2,1H3
PubChem CID	49864336
ChEMBL	CHEMBL1221545
IUPHAR	N/A
BindingDB	50324890
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	4.1 nM	PMID20656482	BindingDB,ChEMBL

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