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GPCR

Name	Alpha-2B adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA2B
Synonym	alpha2-C2 alpha2B alpha2B-adrenoceptor Alpha-2BAR alpha-2B adrenoreceptor Alpha-2B adrenoceptor alpha-2B adrenergic receptor Alpha-2 adrenergic receptor subtype C2 adrenergic receptor Adrenergic alpha2B- receptor class III ADRA2RL1 ADRA2L1 Adra-2b [ Show all ]
Disease	Neuropathic pain Alcohol use disorders
Length	450
Amino acid sequence	MDHQDPYSVQATAAIAAAITFLILFTIFGNALVILAVLTSRSLRAPQNLFLVSLAAADILVATLIIPFSLANELLGYWYFRRTWCEVYLALDVLFCTSSIVHLCAISLDRYWAVSRALEYNSKRTPRRIKCIILTVWLIAAVISLPPLIYKGDQGPQPRGRPQCKLNQEAWYILASSIGSFFAPCLIMILVYLRIYLIAKRSNRRGPRAKGGPGQGESKQPRPDHGGALASAKLPALASVASAREVNGHSKSTGEKEEGETPEDTGTRALPPSWAALPNSGQGQKEGVCGASPEDEAEEEEEEEEEEEECEPQAVPVSPASACSPPLQQPQGSRVLATLRGQVLLGRGVGAIGGQWWRRRAQLTREKRFTFVLAVVIGVFVLCWFPFFFSYSLGAICPKHCKVPHGLFQFFFWIGYCNSSLNPVIYTIFNQDFRRAFRRILCRPWTQTAW
UniProt	P18089
Protein Data Bank	N/A
GPCR-HGmod model	P18089
3D structure model	This predicted structure model is from GPCR-EXP P18089.
BioLiP	N/A
Therapeutic Target Database	T41580
ChEMBL	CHEMBL1942
IUPHAR	26
DrugBank	BE0000572

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	PDSP2_000792 [3H]2-methoxyidazoxan 2-(2,3-Dihydro-2-methoxy-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole alpha-methoxyidazoxan D08KLH L001007 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 GTPL528 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 KBio2_007435 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 D0ZB3X 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 KBio2_002299 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 KBioSS_002301 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 GTPL526 NCGC00015903-04 RX821002 102575-24-6 2-(2-methoxy-3H-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole CHEBI:73287 KBio2_004867 [ 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	528, 526
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	0.794328 - 10.0 nM	PMID8819505, PMID7908642	IUPHAR
Ki	1.6 nM	PMID18578476	BindingDB
Ki	1.62 nM	PMID9605427	BindingDB
Ki	1.62181 nM	PMID9605427	PDSP
Ki	1.622 nM	PMID18578476	ChEMBL
Ki	3.83 nM	PMID7996470	PDSP,BindingDB
Ki	3.98107 nM	PMID7996470	IUPHAR
pKb	7.59 -	PMID18578476	ChEMBL

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