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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	2-Methoxyidazoxan
Molecular formula	C12H14N2O3
IUPAC name	2-(3-methoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
Molecular weight	234.255
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	0.5
Synonyms	GTPL526 LS-78462 RX 821001 (-)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)-4,5-dihydro-1H-imidazole 2-(2-methoxy-2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole 2-[2-(2-methoxy-1,4-benzodioxanyl)]imidazoline BDBM50019492 KBio2_004867 NCGC00015903-04 RX821002 102575-24-6 2-(2-methoxy-3H-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole CHEBI:73287 D08KLH L001007 PDSP2_000792 [3H]2-methoxyidazoxan 2-(2,3-Dihydro-2-methoxy-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole alpha-methoxyidazoxan GTPL528 MCULE-7578829705 RX 821002 2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)-4,5-dihydro-1H-imidazole 476M359 BRD-A65597028-003-02-4 KBio2_007435 NCGC00025112-02 SCHEMBL2494824 1H-Imidazole, 2-(2,3-dihydro-2-methoxy-1,4-benzodioxin-2-yl)-4,5-dihydro- 2-(3-methoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole D0ZB3X Lopac0_001053 PubChem2676 [3H]RX821002 (+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)-4,5-dihydro-1H-imidazole 2-(2-methoxy-1,4-benzodioxan-2-yl)-2-imidazoline 2-[2-(2-Methoxy-1,4-benzodioanyl)]-imidazoline BCP14552 KBio2_002299 NCGC00015903-03 RX-821002 1,4-Benzodioxin, 1H-imidazole deriv. 2-(2-methoxy-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)-4,5-dihydro-1H-imidazole CCG-205130 KBioSS_002301 PDSP1_000805 Spectrum_001808 1H-Imidazole, 2-(2,3-dihydro-2-methoxy-1,4-benzodioxin-2-yl)-4,5-dihydro- (9CI) 2-ethoxy-idazoxan AC1L33BW CHEMBL10332 [ Show all ]
Inchi Key	HQGWKNGAKBPTBX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)
PubChem CID	108094
ChEMBL	CHEMBL10332
IUPHAR	526, 528
BindingDB	50019492
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kd	0.316228 - 1.58489 nM	PMID8819505, PMID7908642	IUPHAR
Ki	0.36 nM	PMID9605427	BindingDB
Ki	0.363078 nM	PMID18578476	BindingDB
Ki	0.363078 nM	PMID9605427	PDSP
Ki	0.3631 nM	PMID18578476	ChEMBL
Ki	0.62 nM	PMID7996470	PDSP,BindingDB
Ki	0.630957 nM	PMID7996470	IUPHAR
Ki	0.92 nM	PMID11408545	PDSP,BindingDB
Ki	1.0 nM	PMID10611634	PDSP,BindingDB
Ki	1.9 nM	PMID24908653	BindingDB
pKb	7.64 -	PMID18578476	ChEMBL

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