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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	5-hydroxytryptamine receptor 2A
Species	Rattus norvegicus (Rat)
Gene	Htr2a
Synonym	serotonin 5HT-2 receptor 5Ht-2 'D' receptor 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled 5-HT2A receptor 5-HT-2A 5-HT-2 serotonin receptor 2A [ Show all ]
Disease	N/A for non-human GPCRs
Length	471
Amino acid sequence	MEILCEDNISLSSIPNSLMQLGDGPRLYHNDFNSRDANTSEASNWTIDAENRTNLSCEGYLPPTCLSILHLQEKNWSALLTTVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAIWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVAFFIPLTIMVITYFLTIKSLQKEATLCVSDLSTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYAGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNENVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENRKPLQLILVNTIPALAYKSSQLQVGQKKNSQEDAEQTVDDCSMVTLGKQQSEENCTDNIETVNEKVSCV
UniProt	P14842
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL322
IUPHAR	6
DrugBank	N/A

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	PMID9686407	BindingDB

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