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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	LISURIDE
Molecular formula	C20H26N4O
IUPAC name	3-[(6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
Molecular weight	338.455
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	2.7
Synonyms	FT-0670825 Lisuride (INN) Lisuridum [INN-Latin] N''-((8alpha)-9,10-Didehydro-6-methylergolin-8-yl)-N,N-diethylurea Prestwick_525 1,1-diethyl-3-(9,10-didehydro-6-methyl-8alpha-ergolinyl)urea ZINC3831001 18016-80-3 AC1L1G87 CCG-204836 Dopergin HMS1568E14 Lisuride Maleate (1:1) Lysenyl Forte (TN) NCGC00179663-02 SCHEMBL43950 118272-EP2280008A2 3,3-diethyl-1-[(4S,7R)-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaen-4-yl]urea BDBM50056445 CHEMBL157138 D08132 E0QN3D755O Lisurida [INN-Spanish] lisuride, (S) Lysuride Hydrogen Maleate Prestwick2_000106 Urea, N'-((8alpha)-9,10-didehydro-6-methylergolin-8-yl)-N,N-diethyl- 118272-EP2298765A1 BSPBio_000092 DB00589 GTPL43 Lisuride (S)(-) Lopac0_000751 N'-((8alpha)-9,10-Didehydro-6-methylergolin-8-yl)-N,N-diethylurea Prolacam (TN) 1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea 19875-60-6 (maleate (1:1)) AKOS024457950 CHEBI:51164 CTK0H5613 Dopergin (TN) Lisurid Lisuride [INN:BAN] Lysurid Prestwick0_000106 SPBio_002031 118272-EP2281559A1 3-(9,10-didehydro-6-methyl-8alpha-ergolinyl)-1,1-diethylurea BKRGVLQUQGGVSM-KBXCAEBGSA-N D0X7KB EINECS 241-925-1 Lisuridum Methylergol Carbamide Prestwick3_000106 (+)-lisuride Urea, N'-[(8a)-9,10-didehydro-6-methylergolin-8-yl]-N,N-diethyl- 140387-89-9 C20H26N4O Dipergon (TN) H8G lisuride maleate LS-159312 N,N-diethyl-N'-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea Revanil (TN) 118272-EP2275420A1 3,3-diethyl-1-[(4S,7R)-6-methyl-6,11-diazatetracyclo[7.6.1.0;{2,7}.0;{12,16}]hexadeca-1(16),2,9,12,14-pentaen-4-yl]urea Arolac (TN) Cuvalit (TN) Dopergine (TN) Lisurida Lisuride [INN] Lysuride Prestwick1_000106 UNII-E0QN3D755O 118272-EP2298764A1 3-(9,10-Didehydro-6-methylergolin-8alpha-yl)-1,1-diethylurea BPBio1_000102 [ Show all ]
Inchi Key	BKRGVLQUQGGVSM-KBXCAEBGSA-N
Inchi ID	InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
PubChem CID	28864
ChEMBL	CHEMBL157138
IUPHAR	43
BindingDB	50056445
DrugBank	DB00589
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
IC50	0.518 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	0.125893 nM	PMID12388666	IUPHAR
Ki	0.237 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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