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GLASS

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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	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	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 US8633208, Idazoxan A839791 BDBM50019848 CHEBI:5862 FT-0655996 Idazoxane LS-78447 NCGC00024794-03 SCHEMBL114731 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 Tox21_110173 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 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 Tox21_110173_1 (+-)-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 2-(1,4-benzodioxan-2-yl)imidazoline AB00489883_10 BRD-A18696154-003-03-6 CHEMBL10316 HPMRFMKYPGXPEP-UHFFFAOYSA-N Idazoxano NCGC00015560-05 Prestwick0_000926 Tox21 110173 [ 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	19.0 nM	PMID10636247	BindingDB
IC50	19.5 nM	PMID10636247	ChEMBL
Ki	22.91 nM	PMID18578476, PMID22370341	ChEMBL
Ki	23.0 nM	PMID18578476, PMID22370341	BindingDB
Ki	37.15 nM	PMID9605427	BindingDB
Ki	37.1535 nM	PMID9605427	PDSP
Ki	100.0 nM	PMID17257841	PDSP,BindingDB,ChEMBL
pKb	7.16 -	PMID18578476, PMID22370341	ChEMBL

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