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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	DEXMEDETOMIDINE
Molecular formula	C13H16N2
IUPAC name	5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole
Molecular weight	200.285
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	3.1
Synonyms	AKOS026750524 CUHVIMMYOGQXCV-NSHDSACASA-N Dexmedetomidina FT-0666307 Precedex (TN) TPU 006 1H-Imidazole, 4-[(1S)-1-(2,3-dimethylphenyl)ethyl]- C07450 Dexmedetomidine (USAN/INN) MCULE-5424054659 SB17478 ZINC4632106 (+)-(S)-4-[1-(2,3-dimethylphenyl) ethyl]-1H -imidazole monohydrochloride 4-[(1S)-1-(2,3-Dimethylphenyl)ethyl]-1H-imidazol AB01566872_01 AK310842 CHEMBL778 Dexdor (TN) Dexmedetomidinum MPV-1440 SW219607-1 108D583 4-[(s)-1-(2,3-dimethyl-phenyl)-ethyl]-1h-imidazole API0000529 D00514 Dexmedetomidina [INN-Spanish] GTPL521 RT-012294 UNII-67VB76HONO 1H-Imidazole,5-[(1S)-1-(2,3-dimethylphenyl)ethyl]- AB01566872_02 CHEBI:4466 DB00633 Dexmedetomidine [USAN:INN:BAN] MolPort-035-395-718 SC-78886 (+)-4-((S)-alpha,2,3-Trimethylbenzyl)imidazole 4-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole AKOS025149503 CTK8E7442 Dexmedetomidin Dexmedetomidinum [INN-Latin] NCGC00025347-01 Tocris-2023 113775-47-6 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole BDBM50085683 D0U3DU KS-00000G0F s3075 UNII-MR15E85MQM component CUHVIMMYOGQXCV-NSHDSACASA-N 2371AH 67VB76HONO AC1NSJXT Dexdor DexmedetomidineHclC13H16N2.Hcl MPV 1440 SCHEMBL26433 (S)-5-(1-(2,3-Dimethylphenyl)ethyl)-1H-imidazole 4-[(1S)-1-(2,3-dimethylphenyl)ethyl]-3H-imidazole [ Show all ]
Inchi Key	CUHVIMMYOGQXCV-NSHDSACASA-N
Inchi ID	InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1
PubChem CID	5311068
ChEMBL	CHEMBL778
IUPHAR	521
BindingDB	50085683
DrugBank	DB00633
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
EC50	0.8 nM	None	ChEMBL
EC50	1.5 nM	PMID21129985	BindingDB,ChEMBL
EC50	2.1 nM	PMID27265687	BindingDB
EC50	2.138 nM	PMID27265687	ChEMBL
Emax	93.0 %	None	ChEMBL
Intrinsic activity	60.0 %	PMID21129985	ChEMBL
Intrinsic activity	63.0 %	PMID27265687	ChEMBL
Ki	0.251188 - 25.1189 nM	PMID9824686, PMID9605427, PMID9760042, PMID9227000	IUPHAR
Ki	2.5 nM	PMID27265687	BindingDB,ChEMBL

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