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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	CHEMBL360671
Molecular formula	C22H23BrF3N5O3S
IUPAC name	2-N-[1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-4-N,4-N-dimethylquinazoline-2,4-diamine
Molecular weight	574.417
Hydrogen bond acceptor	11
Hydrogen bond donor	1
XlogP	5.6
Synonyms	BDBM50166556 N2-[1-(4-Bromo-2-trifluoromethoxy-benzenesulfonyl)-piperidin-4-yl]-N4,N4-dimethyl-quinazoline-2,4-diamine N2-[1-(4-bromo-2-trifluoromethoxy-benzenesulfonyl)-piperidin-4-yl]-N4,N4-dimethyl-quinazoline-2,4-diamine AUHFSEIMAYONHH-UHFFFAOYSA-N SCHEMBL3940948
Inchi Key	AUHFSEIMAYONHH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H23BrF3N5O3S/c1-30(2)20-16-5-3-4-6-17(16)28-21(29-20)27-15-9-11-31(12-10-15)35(32,33)19-8-7-14(23)13-18(19)34-22(24,25)26/h3-8,13,15H,9-12H2,1-2H3,(H,27,28,29)
PubChem CID	11342160
ChEMBL	CHEMBL360671
IUPHAR	N/A
BindingDB	50166556
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	170.0 nM	PMID15863317, PMID16002290	BindingDB,ChEMBL

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