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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	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	S-(-)-Lisuride
Molecular formula	C20H26N4O
IUPAC name	3-[(6aR,9R)-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	3,3-diethyl-1-[(4R,7R)-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(15),2,9,12(16),13-pentaen-4-yl]urea CHEMBL1528238 S(-)-N'-[(8a)-9,10-Didehydro-6-methylergolin-8-yl]-N,N-diethyl-urea Biomol-NT_000024 EU-0100781 SR-01000075971-1 140387-89-9 CCG-204866 N'-(9,10-Didehydro-6-methylergoline-8beta-yl)-N,N-diethylurea 8R-lisuride D0Y5QR 1,1-diethyl-3-(9,10-didehydro-6-methyl-8beta-ergolinyl)urea BPBio1_001092 L-122 CHEBI:93550 NCGC00163158-01 BDBM22867 D0YC1I SR-01000075971 1,1-diethyl-3-[(8beta)-6-methyl-9,10-didehydroergolin-8-yl]urea BRD-K88871508-001-01-9 Lopac0_000781 [ Show all ]
Inchi Key	BKRGVLQUQGGVSM-RDTXWAMCSA-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-/m1/s1
PubChem CID	11957615
ChEMBL	N/A
IUPHAR	N/A
BindingDB	22867
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	0.74 nM	PMID9225287	BindingDB
Ki	1.4 nM	PMID10611640	BindingDB
Ki	2.75 nM	PMID12388666	BindingDB
Ki	5.2 nM	PMID10611640	BindingDB

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