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GPCR

Name	5-hydroxytryptamine receptor 2A
Species	Homo sapiens (Human)
Gene	HTR2A
Synonym	5-HT-2 serotonin receptor 2A serotonin 5HT-2 receptor 5-HT-2A 5-HT2A receptor 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled 5Ht-2 'D' receptor [ Show all ]
Disease	Depression Unspecified Diabetes Erythropoietic porphyria Fibromyalgia Sleep disorders Schizophrenia Psychiatric disorder Pancreatitis Mood disorder Migraine Hemorrhoids Glaucoma Central nervous system disease Cardiovascular disorder Addiction Schizophrenia; Sleep maintenance insomnia Alcohol use disorders Anxiety disorder [ Show all ]
Length	471
Amino acid sequence	MDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEATLCVSDLGTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYTGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQMGQKKNSKQDAKTTDNDCSMVALGKQHSEEASKDNSDGVNEKVSCV
UniProt	P28223
Protein Data Bank	6a93, 6a94
GPCR-HGmod model	P28223
3D structure model	This structure is from PDB ID 6a93.
BioLiP	BL0441025,BL0441028, BL0441031, BL0441030,BL0441033, BL0441029,BL0441032, BL0441026, BL0441024,BL0441027
Therapeutic Target Database	T32060
ChEMBL	CHEMBL224
IUPHAR	6
DrugBank	BE0000451

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	<10000.0 nM	PMID12388666	BindingDB
Ki	3162.28 - 10000.0 nM	PMID12388666, PMID15322733	IUPHAR
Ki	25000.0 nM	PMID25734236	BindingDB,ChEMBL

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