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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	CHEMBL226636
Molecular formula	C26H30FN3O4
IUPAC name	3-[[4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazin-1-yl]methyl]-7,8-dimethoxy-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole
Molecular weight	467.541
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	3.7
Synonyms	BDBM50209685 cis-(+)-7,8-dimethoxy-3-[4-(3-(4-fluoro)phenyl-2(E)-propen-1-yl)piperazin-1-ylmethyl]-3a,4-dihydro-3H-[1]benzopyrano[4,3-c]isoxazole SCHEMBL14604924 cis-(+/-)-7,8-dimethoxy-3-[4-(3-(4-fluoro)phenyl-2(E)-propen-1-yl)piperazin-1-ylmethyl]-3a,4-dihydro-3H-[1]benzopyrano[4,3-c]isoxazole cis-(-)-7,8-dimethoxy-3-[4-(3-(4-fluoro)phenyl-2(E)-propen-1-yl)piperazin-1-ylmethyl]-3a,4-dihydro-3H-[1]benzopyrano[4,3-c]isoxazole
Inchi Key	CVKQUGPVDVFRAT-ONEGZZNKSA-N
Inchi ID	InChI=1S/C26H30FN3O4/c1-31-23-14-20-22(15-24(23)32-2)33-17-21-25(34-28-26(20)21)16-30-12-10-29(11-13-30)9-3-4-18-5-7-19(27)8-6-18/h3-8,14-15,21,25H,9-13,16-17H2,1-2H3/b4-3+
PubChem CID	44424855
ChEMBL	CHEMBL226636
IUPHAR	N/A
BindingDB	50209685
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	14.0 nM	PMID17407815	ChEMBL
Ki	25.0 nM	PMID17407815	ChEMBL
Ki	162.0 nM	PMID17407815	BindingDB,ChEMBL

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