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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	CHEMBL74283
Molecular formula	C11H14BrN5
IUPAC name	5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,3,4-tetrahydroquinoxalin-6-amine
Molecular weight	296.172
Hydrogen bond acceptor	3
Hydrogen bond donor	4
XlogP	1.0
Synonyms	5-Bromo-N-(4,5-dihydro-1H-imidazol-2-yl-amino)-1,2,3,4-tetrahydro-6-quinoxalinamine AC1L2ZVH BDBM50213028 SCHEMBL7759458 Agn 190851 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,3,4-tetrahydroquinoxalin-6-amine 6-Quinoxalinamine, 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,3,4-tetrahydro- AKOS030558838 [ Show all ]
Inchi Key	CETMNKCDAHCKRC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H14BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-2,13-14H,3-6H2,(H2,15,16,17)
PubChem CID	131829
ChEMBL	CHEMBL74283
IUPHAR	N/A
BindingDB	50213028
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	891.0 nM	N/A	BindingDB
EC50	891.25 nM	Bioorg. Med. Chem. Lett., (1995) 5:19:2255	ChEMBL
Intrinsic activity	1.0 -	Bioorg. Med. Chem. Lett., (1995) 5:19:2255	ChEMBL
Ki	48.98 nM	Bioorg. Med. Chem. Lett., (1995) 5:19:2255	ChEMBL
Ki	49.0 nM	N/A	BindingDB

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