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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	CHEMBL90966
Molecular formula	C27H30N4O4
IUPAC name	7,8-dimethoxy-3-[[4-(quinolin-6-ylmethyl)piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole
Molecular weight	474.561
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	3.2
Synonyms	BDBM50131367 SCHEMBL14604922 7,8-Dimethoxy-3-(4-quinolin-6-ylmethyl-piperazin-1-ylmethyl)-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole
Inchi Key	APNJYYQXBHETAR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H30N4O4/c1-32-24-13-20-23(14-25(24)33-2)34-17-21-26(35-29-27(20)21)16-31-10-8-30(9-11-31)15-18-5-6-22-19(12-18)4-3-7-28-22/h3-7,12-14,21,26H,8-11,15-17H2,1-2H3
PubChem CID	44325038
ChEMBL	CHEMBL90966
IUPHAR	N/A
BindingDB	50131367
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	721.0 nM	PMID12873501	BindingDB,ChEMBL

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