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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	Imiloxan
Molecular formula	C14H16N2O2
IUPAC name	2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethylimidazole
Molecular weight	244.294
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	2.1
Synonyms	2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethylimidazole AN-3505 GTPL3470 Lopac0_000703 NSC_133621 UXABARREKCJULM-UHFFFAOYSA-N 1H-Imidazole, 2-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-1-ethyl- 81167-16-0 BRD-A10903566-003-02-8 DSSTox_CID_25162 Imiloxano NCGC00015570-05 RS-21361 (+-)-2-(1,4-Benzodioxan-2-ylmethyl)-1-ethylimidazole 2-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-1-ethylimidazole AC1Q7014 CCG-204788 DTXSID1045162 Imiloxanum [Latin] NCGC00024917-02 Tox21_110175 1-ethyl-2-(1,4-benzodioxan-2-ylmethyl)imidazole 2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)-1-(1-ethyl-1H-imidazol-2-yl)ethanone hydrochloride API0008696 CHEMBL347695 NCGC00015570-03 PDSP1_001499 2-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-1-ethyl-1H-imidazole CAS-81167-16-0 DSSTox_GSID_45162 Imiloxano [Spanish] NCGC00015570-06 SCHEMBL757962 (RS)-2-(1,4-Benzodioxan-2-ylmethyl)-1-ethylimidazol 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-imidazole AKOS028111028 CHEBI:91522 GNF-Pf-2156 L000310 NCGC00024917-03 Tox21_110175_1 1H-Imidazole, 2-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-1-ethyl-, (7R-(7alpha,8beta,10beta))- BDBM85234 D03IVG Imiloxan [INN] NCGC00015570-04 PDSP2_001483 2-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-1-ethyl-1H-imidazole AC1L334I CAS_81167-16-0 DSSTox_RID_80712 Imiloxanum NCGC00015570-07 Tox21 110175 [ Show all ]
Inchi Key	UXABARREKCJULM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H16N2O2/c1-2-16-8-7-15-14(16)9-11-10-17-12-5-3-4-6-13(12)18-11/h3-8,11H,2,9-10H2,1H3
PubChem CID	133621
ChEMBL	CHEMBL347695
IUPHAR	3470
BindingDB	85234
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	67.6083 nM	PMID9605427	PDSP
Ki	67.61 nM	PMID9605427	BindingDB

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