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GPCR

Name	Alpha-2C adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA2C
Synonym	alpha2-C4 Adra-2c ADRA2L2 ADRA2RL2 Adrenergic alpha2C- receptor class I adrenergic receptor alpha-2 adrenergic receptor subtype C4 alpha2C-adrenoceptor alpha-2C adrenergic receptor Alpha-2C adrenoceptor alpha-2C adrenoreceptor Alpha-2CAR [ Show all ]
Disease	Diabetic nephropathy; Fibromyalgia Hypertension Heart failure Glaucoma Alzheimer disease Asthma Erythema Contusion Depression Hypotension Male sexual disorders Neurological disease Obesity Ocular disease Allergic rhinitis Alcohol use disorders Ocular hypertension Poison intoxication Peptic ulcer Pain [ Show all ]
Length	462
Amino acid sequence	MASPALAAALAVAAAAGPNASGAGERGSGGVANASGASWGPPRGQYSAGAVAGLAAVVGFLIVFTVVGNVLVVIAVLTSRALRAPQNLFLVSLASADILVATLVMPFSLANELMAYWYFGQVWCGVYLALDVLFCTSSIVHLCAISLDRYWSVTQAVEYNLKRTPRRVKATIVAVWLISAVISFPPLVSLYRQPDGAAYPQCGLNDETWYILSSCIGSFFAPCLIMGLVYARIYRVAKLRTRTLSEKRAPVGPDGASPTTENGLGAAAGAGENGHCAPPPADVEPDESSAAAERRRRRGALRRGGRRRAGAEGGAGGADGQGAGPGAAESGALTASRSPGPGGRLSRASSRSVEFFLSRRRRARSSVCRRKVAQAREKRFTFVLAVVMGVFVLCWFPFFFSYSLYGICREACQVPGPLFKFFFWIGYCNSSLNPVIYTVFNQDFRRSFKHILFRRRRRGFRQ
UniProt	P18825
Protein Data Bank	N/A
GPCR-HGmod model	P18825
3D structure model	This predicted structure model is from GPCR-EXP P18825.
BioLiP	N/A
Therapeutic Target Database	T01777
ChEMBL	CHEMBL1916
IUPHAR	27
DrugBank	BE0004864, BE0000342, BE0004888

Ligand

Name	IDAZOXAN
Molecular formula	C11H12N2O2
IUPAC name	2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
Molecular weight	204.229
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	0.7
Synonyms	Tox21_110173 2-(2,3-Dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole AB00514632 BRD-A18696154-003-14-3 DB12551 I14-6697 Idazoxano [Spanish] NCGC00015560-06 Prestwick1_000926 AN-36529 CAS-79944-58-4 DSSTox_RID_80711 Idazoxan [BAN:INN] L000808 NCGC00015560-10 RX-781094 1H-Imidazole, 4,5-dihydro-2-(2,3-dihydro-1,4-benzodioxin-2-yl)- AB00489883-09 BPBio1_000916 HMS2089E14 Idazoxane [French] NCGC00015560-04 NCGC00024794-04 SPBio_003011 Tox21_110173_1 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole AC1L1H1U BSPBio_000832 DSSTox_CID_25161 idasoxan Idazoxanum NCGC00015560-08 Prestwick2_000926 (+-)-2-(1,4-Benzodioxan-2-yl)-2-imidazoline 79944-58-4 API0007263 CCG-204739 DTXSID6045161 Idazoxan [INN:BAN] Lopac0_000652 NCGC00015560-12 SBI-0050632.P002 Tox21 110173 2-(1,4-benzodioxan-2-yl)imidazoline AB00489883_10 BRD-A18696154-003-03-6 CHEMBL10316 HPMRFMKYPGXPEP-UHFFFAOYSA-N Idazoxano NCGC00015560-05 Prestwick0_000926 US8633208, Idazoxan 4,5-dihydro-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-1H-imidazole AKOS015915004 C10968 DSSTox_GSID_45161 Idazoxanum [Latin] NCGC00015560-09 Prestwick3_000926 A839791 BDBM50019848 CHEBI:5862 FT-0655996 Idazoxane LS-78447 NCGC00024794-03 SCHEMBL114731 [ Show all ]
Inchi Key	HPMRFMKYPGXPEP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
PubChem CID	54459
ChEMBL	CHEMBL10316
IUPHAR	N/A
BindingDB	50019848
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	53.7 nM	PMID10636247	ChEMBL
IC50	54.0 nM	PMID10636247	BindingDB
Ki	17.78 nM	PMID18578476, PMID22370341	ChEMBL
Ki	18.0 nM	PMID18578476, PMID22370341	BindingDB
Ki	19.0 nM	PMID17257841	PDSP,BindingDB,ChEMBL
Ki	19.95 nM	PMID9605427	BindingDB
Ki	19.9526 nM	PMID9605427	PDSP
pKb	7.92 -	PMID18578476, PMID22370341	ChEMBL

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