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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	CHEMBL179648
Molecular formula	C21H26N2O
IUPAC name	1-benzyl-4-(3,4-dihydro-2H-chromen-2-ylmethyl)piperazine
Molecular weight	322.452
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.7
Synonyms	1-benzyl-4-((3,4-dihydro-2H-chromen-2-yl)methyl)piperazine D03LDH 1-Benzyl-4-chroman-2-ylmethyl-piperazine SCHEMBL8031431 AJZBPCAHQHCXMX-UHFFFAOYSA-N 1-[(chroman-2-yl)methyl]-4-benzylpiperazine BDBM50159018 [ Show all ]
Inchi Key	AJZBPCAHQHCXMX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H26N2O/c1-2-6-18(7-3-1)16-22-12-14-23(15-13-22)17-20-11-10-19-8-4-5-9-21(19)24-20/h1-9,20H,10-17H2
PubChem CID	10758200
ChEMBL	CHEMBL179648
IUPHAR	N/A
BindingDB	50159018
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	72.8 nM	PMID18799310	ChEMBL
Ki	73.0 nM	PMID18799310	BindingDB
Ki	180.0 nM	PMID18799310	BindingDB,ChEMBL

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