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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	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	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 KBio2_002299 NCGC00015903-03 RX-821002 1H-Imidazole, 2-(2,3-dihydro-2-methoxy-1,4-benzodioxin-2-yl)-4,5-dihydro- (9CI) 2-ethoxy-idazoxan AC1L33BW CHEMBL10332 KBioSS_002301 PDSP1_000805 Spectrum_001808 (-)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 GTPL526 LS-78462 RX 821001 102575-24-6 2-(2-methoxy-3H-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole CHEBI:73287 KBio2_004867 NCGC00015903-04 RX821002 2-(2,3-Dihydro-2-methoxy-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole alpha-methoxyidazoxan D08KLH L001007 PDSP2_000792 [3H]2-methoxyidazoxan 2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)-4,5-dihydro-1H-imidazole 476M359 BRD-A65597028-003-02-4 GTPL528 MCULE-7578829705 RX 821002 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 KBio2_007435 NCGC00025112-02 SCHEMBL2494824 (+)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 D0ZB3X Lopac0_001053 PubChem2676 [3H]RX821002 [ 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	0.630957 - 6.30957 nM	PMID8819505, PMID7908642	IUPHAR
Ki	0.79 nM	PMID9605427	BindingDB
Ki	0.7943 nM	PMID18578476	ChEMBL
Ki	0.794328 nM	PMID18578476	BindingDB
Ki	0.794328 nM	PMID9605427	PDSP
Ki	1.78 nM	PMID7996470	PDSP,BindingDB
Ki	1.99526 nM	PMID7996470	IUPHAR
pKb	8.0 -	PMID18578476	ChEMBL

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