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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	Medetomidine
Molecular formula	C13H16N2
IUPAC name	5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole
Molecular weight	200.285
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	3.1
Synonyms	BCP12592 CUHVIMMYOGQXCV-UHFFFAOYSA-N HY-17034 SCHEMBL26432 (+)-4-[1-(2,3-Dimethylphenyl)ethyl]-1H-imidazole 3506AC AB01566810_01 AKOS016010776 CHEBI:48552 Domitor [veterinary] (TN) L000223 Medetomidinum (rs)-4-[1-(2,3-dimethylphenyl)ethyl]-3h-imidazole 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole AX8137326 CS-0734 FT-0716677 Medetomidina MPV-785 1H-Imidazole, 4-(1-(2,3-dimethylphenyl)ethyl)- 86347-14-0 BDBM50036913 D08165 IH-Imidazole, 4(1-(2,3-dimethylphenyl)ethyl)- Medetomidine (INN) W-6033 (+-)-4-(alpha,2,3-trimethylbenzyl)imidazole 4-(1-(2,3-Dimethylphenyl)ethyl)-1H-imidazole AC1L2A2Y API0008707 DoMtor L001361 Medetomidinum [Latin] (S)-medetomidine; Dexmedetomidinum 5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole BCP06913 CTK6C1550 HMS3651H20 Medetomidina [Spanish] SC-94517 ( -)-4-(alpha,2,3-Trimethylbenzyl)imidazole 1H-Imidazole, 4-[1-(2,3-dimethylphenyl)ethyl]- 86347-15-1 (hydrochloride) BRD-A66563878-003-01-8 D0F2ML KS-00000GIZ Medetomidine [INN:BAN] (RS)-4-(alpha,2,3-Trimethylbenzyl)imidazol 4-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole AK115836 AS-35172 CHEMBL77921 DTXSID6048258 LS-177922 MolPort-006-394-853 [ Show all ]
Inchi Key	CUHVIMMYOGQXCV-UHFFFAOYSA-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)
PubChem CID	68602
ChEMBL	CHEMBL77921
IUPHAR	N/A
BindingDB	50036913
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	3400.0 nM	PMID7914537	BindingDB,ChEMBL
Ki	2.0417 nM	PMID11082457	PDSP
Ki	3.1623 nM	PMID11082457	PDSP
Ki	13.1826 nM	PMID9605427	PDSP
Ki	15.8489 nM	PMID11082457	PDSP

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