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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	CHEMBL328377
Molecular formula	C27H31N3O4
IUPAC name	3-[[4-(1H-inden-2-ylmethyl)piperazin-1-yl]methyl]-7,8-dimethoxy-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole
Molecular weight	461.562
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	3.3
Synonyms	BDBM50131356 3-[4-(1H-Inden-2-ylmethyl)-piperazin-1-ylmethyl]-7,8-dimethoxy-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole
Inchi Key	AQDOXXILINNVJB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H31N3O4/c1-31-24-13-21-23(14-25(24)32-2)33-17-22-26(34-28-27(21)22)16-30-9-7-29(8-10-30)15-18-11-19-5-3-4-6-20(19)12-18/h3-6,11,13-14,22,26H,7-10,12,15-17H2,1-2H3
PubChem CID	44324859
ChEMBL	CHEMBL328377
IUPHAR	N/A
BindingDB	50131356
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	315.0 nM	PMID12873501	BindingDB,ChEMBL

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