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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	QUINPIROLE
Molecular formula	C13H21N3
IUPAC name	(4aR,8aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[3,4-g]quinoline
Molecular weight	219.332
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.3
Synonyms	CHEMBL240773 Lopac0_000990 NCGC00016954-05 Prestwick2_001093 Quinpirolum [Latin] (4aR,8aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrido[2,3-f]indazole 5-Propyl-4,4aalpha,5,6,7,8,8abeta,9-octahydro-2H-pyrazolo[3,4-g]quinoline AB00514646 BRD-K26548821-001-01-8 GTPL2 LY 156258 NCGC00016954-08 Quinpirol [Spanish] SPBio_003053 (4As,8as)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[3,4-g]quinolinedihydrochloride 80373-22-4 BDBM50018958 CAS-85760-74-3 CHEBI:75401 Lopac-Q-102 NCGC00016954-01 Prestwick0_001093 Quinpirole,(-) UNII-20OP60125T 99745-17-2 BPBio1_001169 D0H2WQ Lopac0_001030 NCGC00016954-06 Prestwick3_001093 SCHEMBL11048143 (4aR,8aR)-5-Propyl-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrazolo[3,4-g]quinoline AC1L1H9R BRD-K26548821-003-03-0 CAS_85760-74-3 HMS2089L17 NCGC00015866-01 NCGC00024974-01 Tocris-1061 1H-Pyrazolo(3,4-g)quinoline, 4,4a,5,6,7,8,8a,9-octahydro-5-propyl-, (4aR-trans)- BDBM84637 Lopac-Q-111 NCGC00016954-02 Prestwick1_001093 Quinpirolum ZINC4629192 (4aR,8aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[3,4-g]quinoline 20OP60125T A841444 BPBio1_001284 DTXSID9048229 LS-129350 NCGC00016954-07 Quinpirol SCHEMBL50905 (4aR-trans)-4,4a,5,6,7,8,8a,9-Octahydro-5-propyl-1H-pyrazolo(3,4-g)quinoline 74196-92-2 AKOS015895855 BSPBio_001166 CCG-205070 I06-1237 NCGC00015866-02 NSC_54562 Quinpirole [INN] trans-(+-)-5-Propyl-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrazolo(3,4-g)quinoline dihydrochloride 1H-Pyrazolo(3,4-g)quinoline, 4,4a,5,6,7,8,8a,9-octahydro-5-propyl-, dihydrochloride, (E)-, (+-)- 85760-74-3 Biomol-NT_000014 [ Show all ]
Inchi Key	FTSUPYGMFAPCFZ-ZWNOBZJWSA-N
Inchi ID	InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
PubChem CID	54562
ChEMBL	CHEMBL240773
IUPHAR	2
BindingDB	50018958, 84637
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	2511.89 nM	PMID12388666	BindingDB

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