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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	CHEMBL49137
Molecular formula	C12H13N5
IUPAC name	N-(4,5-dihydro-1H-imidazol-2-yl)-5-methylquinoxalin-6-amine
Molecular weight	227.271
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	0.3
Synonyms	DTXSID00238427 AC1L4G4B N-(4,5-dihydro-1H-imidazol-2-yl)-5-methylquinoxalin-6-amine SCHEMBL7028091 6-Quinoxalinamine, N-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl- Imidazolidin-2-ylidene-(5-methyl-quinoxalin-6-yl)-amine AGN-191103 QZUXRMOPAGPTIY-UHFFFAOYSA-N 5-Methyl-6-(2-imidazolin-2-ylamino)quinoxaline 91147-45-4 L005026 BDBM50052880 SCHEMBL15195137 [ Show all ]
Inchi Key	QZUXRMOPAGPTIY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)
PubChem CID	185076
ChEMBL	CHEMBL49137
IUPHAR	N/A
BindingDB	50052880
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	77.62 nM	Bioorg. Med. Chem. Lett., (1995) 5:19:2255	ChEMBL
EC50	78.0 nM	N/A	BindingDB
Intrinsic activity	1.0 -	Bioorg. Med. Chem. Lett., (1995) 5:19:2255	ChEMBL
Ki	8.9 nM	N/A	BindingDB
Ki	8.913 nM	Bioorg. Med. Chem. Lett., (1995) 5:19:2255	ChEMBL

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