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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	CHEMBL1956193
Molecular formula	C12H13F3N2O
IUPAC name	2-[1-[2-(trifluoromethyl)phenoxy]ethyl]-4,5-dihydro-1H-imidazole
Molecular weight	258.244
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.2
Synonyms	BDBM50419875
Inchi Key	BFKLSSIIDDEGQB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H13F3N2O/c1-8(11-16-6-7-17-11)18-10-5-3-2-4-9(10)12(13,14)15/h2-5,8H,6-7H2,1H3,(H,16,17)
PubChem CID	57395663
ChEMBL	CHEMBL1956193
IUPHAR	N/A
BindingDB	50419875
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	239.88 nM	PMID22341244	ChEMBL
EC50	240.0 nM	PMID22341244	BindingDB
Intrinsic activity	0.4 -	PMID22341244	ChEMBL
Ki	1621.81 nM	PMID22341244	ChEMBL
Ki	1622.0 nM	PMID22341244	BindingDB

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