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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	CHEMBL373535
Molecular formula	C16H17N3O
IUPAC name	3-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]phenyl]pyridine
Molecular weight	267.332
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	1.9
Synonyms	BDBM50002905 SCHEMBL17722365
Inchi Key	AFWQDDUMQAQVSC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H17N3O/c1-12(16-18-9-10-19-16)20-15-7-3-2-6-14(15)13-5-4-8-17-11-13/h2-8,11-12H,9-10H2,1H3,(H,18,19)
PubChem CID	11265631
ChEMBL	CHEMBL373535
IUPHAR	N/A
BindingDB	50002905
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	316.0 nM	PMID17630725	BindingDB
EC50	316.23 nM	PMID15566287, PMID17630725	ChEMBL
EC50	588.84 nM	PMID15566287	ChEMBL
Intrinsic activity	0.5 -	PMID15566287, PMID17630725	ChEMBL
Ki	138.0 nM	PMID17630725	BindingDB
Ki	138.04 nM	PMID15566287, PMID17630725	ChEMBL

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