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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL384925
Molecular formula	C28H30N4
IUPAC name	3-benzyl-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine
Molecular weight	422.576
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	6.0
Synonyms	BDBM50196128 (3-benzyl-2-methylquinolin-4-yl)-[4-(4-methylpiperazin-1-yl)-phenyl]amine
Inchi Key	CNOXIXMPZLKURQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H30N4/c1-21-26(20-22-8-4-3-5-9-22)28(25-10-6-7-11-27(25)29-21)30-23-12-14-24(15-13-23)32-18-16-31(2)17-19-32/h3-15H,16-20H2,1-2H3,(H,29,30)
PubChem CID	16090621
ChEMBL	CHEMBL384925
IUPHAR	N/A
BindingDB	50196128
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Kb	220.0 nM	PMID17034141	ChEMBL
Ki	96.0 nM	PMID17034141	BindingDB,ChEMBL

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