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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.
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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	D-Lysergic acid N,N-diethylamide
Molecular formula	C20H25N3O
IUPAC name	N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular weight	323.44
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.0
Synonyms	SCHEMBL12401704 Cubes [Street Name] Indolo[4,3-fg]quinoline, ergoline-8-carboxamide deriv. Lysergsaure-N,N-diethylamid AC1L1H5B Pearly gates [Street Name] CAS_50-37-3 Ergoline-8.beta.-carboxamide, 9,10-didehydro-N,N-diethyl-6-methyl- VAYOSLLFUXYJDT-UHFFFAOYSA-N D-LSD-25 L000352 N,N-Diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, (8.beta.)- # Acid [Street Name] Dextrolysergic Acid diethylamide Royal Blue [Street Name] (+)-LSD COS0000448 Heavenly Blue [Street Name] Wedding bells [Street Name] 9,10-Didehydro-N,N-diethyl-6-methyl-ergoline-8-.beta.-carboxamide d-Lysergic acid dethylamide Lysergsaure diethylamid NSC_3981 BDBM86427 Ergoline-8-carboxamide, 9,10-didehydro-N,N-diethyl-6-methyl-, (8.beta.)- [ Show all ]
Inchi Key	VAYOSLLFUXYJDT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3
PubChem CID	3981
ChEMBL	N/A
IUPHAR	N/A
BindingDB	86427
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	0.758578 nM	PMID15322733	PDSP
Ki	0.76 nM	PMID15322733	BindingDB
Ki	0.95 nM	Sadzot et al., PMID1989	PDSP
Ki	2.56 nM	Pierce & Peroutka, PMID1989	PDSP
Ki	2.7 nM	PMID10611640	PDSP
Ki	5.2 nM	PMID10611640	PDSP
Ki	21.3796 nM	PMID10498829	PDSP

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