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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	CHEMBL2058633
Molecular formula	C10H11ClN2
IUPAC name	N-(2-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine
Molecular weight	194.662
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	1.7
Synonyms	AC1OEMDG SCHEMBL5534 2H-Pyrrol-5-amine, N-(2-chlorophenyl)-3,4-dihydro- FT-0760165 AKOS017268226 ZINC3866613 N-(2-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine BDBM50387825 21748-08-3 DA-43226 [ Show all ]
Inchi Key	DADXHMUZIXRGOH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H11ClN2/c11-8-4-1-2-5-9(8)13-10-6-3-7-12-10/h1-2,4-5H,3,6-7H2,(H,12,13)
PubChem CID	7059292
ChEMBL	CHEMBL2058633
IUPHAR	N/A
BindingDB	50387825
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	933.0 nM	PMID22750139	BindingDB
Ki	933.25 nM	PMID22750139	ChEMBL

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