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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	5-hydroxytryptamine receptor 2A
Species	Sus scrofa (Pig)
Gene	HTR2A
Synonym	5-HT-2 5-HT-2A 5-HT2A Serotonin receptor 2A
Disease	N/A for non-human GPCRs
Length	470
Amino acid sequence	MDVLCEENTSLSSPTNSFMQLNDDTRLYHNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPPCFSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHRRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEATLCVSDLGTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQTGQKENSKQDDKATENDCTMVALGKQHSEDAPADNSNTVNEKVSCV
UniProt	P50129
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	CHEMBL2490
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	Mesulergine
Molecular formula	C18H26N4O2S
IUPAC name	(6aR,9S,10aR)-9-(dimethylsulfamoylamino)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline
Molecular weight	362.492
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	1.4
Synonyms	4,7-dimethyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amine-sulfonamide BDBM50024204 CHEMBL12314 DSSTox_RID_81540 Mesulergine [INN] NCGC00163168-03 UNII-SML95FK06I 72786-12-0 (mono-hydrochloride) BRD-K91336023-001-01-4 CTK2F7769 HMS2089G12 N''-4,7-Dimethyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinolin-9-yl)-N''-,N''-dimethyl-sulphonediamine SR-05000001430 1H-imidazo[4,5-c]pyridine derivative 3-(1,6-Dimethyl-8alpha-ergolinyl)-1,1-dimethylsulfamid AC1L2AKM CHEBI:73378 DSSTox_CID_26324 Mesulergina [INN-Spanish] NCGC00163168-01 Tox21_112023 Biomol-NT_000077 ChEMBL_10959 DTXSID3046324 Mesulerginum SCHEMBL292175 ZINC4216874 (6aR,9S,10aR)-9-(dimethylsulfamoylamino)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline 9-N,N-dimethylsulfamide-4,7-dimethyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline C18H26N4O2S CU-32085 LS-147708 N'-(1,6-Dimethylergolin-8alpha-yl)-N,N-dimethylsulfamide SR-05000001430-1 4,7-dimethyl-(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amino-N,N-dimethyl sulfonamide AC1Q6V4R DSSTox_GSID_46324 NCGC00163168-02 Tox21_112023_1 64795-35-3 BPBio1_001398 CQ 32085 GTPL206 Mesulerginum [INN-Latin] SML95FK06I 1,6-dimethyl-8a-(n,n-dimethylsulfamoylamino)ergoline AB01275438-01 CAS-64795-35-3 D0K5NZ Mesulergina N'-[(8alpha)-1,6-dimethylergolin-8-yl]-N,N-dimethylsulfuric diamide Sulfamide, N'-[(8a)-1,6-dimethylergolin-8-yl]-N,N-dimethyl- 2N-[4,7-dimethyl-(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]-2-dimethylaminosulfonamide [ Show all ]
Inchi Key	JLVHTNZNKOSCNB-YSVLISHTSA-N
Inchi ID	InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15+,17+/m0/s1
PubChem CID	68848
ChEMBL	CHEMBL12314
IUPHAR	206
BindingDB	50024204
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	54.2 nM	PMID8510008	BindingDB

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