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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	CHEMBL217180
Molecular formula	C18H24N4
IUPAC name	3,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-4-amine
Molecular weight	296.418
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.1
Synonyms	BDBM50196133 (3,5-dimethyl-pyridin-4-yl)-[4-(4-methylpiperazin-1-yl)phenyl]amine
Inchi Key	BDODJZYHQXXMMX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H24N4/c1-14-12-19-13-15(2)18(14)20-16-4-6-17(7-5-16)22-10-8-21(3)9-11-22/h4-7,12-13H,8-11H2,1-3H3,(H,19,20)
PubChem CID	16090634
ChEMBL	CHEMBL217180
IUPHAR	N/A
BindingDB	50196133
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	<30000.0 nM	PMID17034141	BindingDB,ChEMBL

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