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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	143797-63-1
Molecular formula	C15H14N4O
IUPAC name	1-(1-methylindol-5-yl)-3-pyridin-3-ylurea
Molecular weight	266.304
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	1.5
Synonyms	BDBM82272 Mip-urea SB 200646 Tocris-1371 1-(1-methylindol-5-yl)-3-pyridin-3-ylurea CHEBI:8976 N-(1-Methyl-5-indolyl)-N'-(3-pyridyl)urea SB-200646 AC1L2QVR DTXSID40162550 PDSP1_001636 SB200646a 1-(1-Methyl-1H-indol-5-yl)-3-(pyridin-3-yl)urea BRD-K77677632-003-01-8 N-(1-Methyl-1H-indol-5-yl)-N'-3-pyridinylurea SB 200646 HCl Urea, N-(1-methyl-1H-indol-5-yl)-N'-3-pyridinyl- NCGC00025128-01 SB-200646 hydrochloride AKOS027422836 L000535 PDSP2_001620 SCHEMBL173735 1-(1-methylindol-5-yl)-3-(3-pyridyl)urea C11739 N-(1-methyl-5-indolyl)-N'-(3-pyridyl) urea SB 200646A ZINC5475 CHEMBL85194 NCGC00025128-02 SB200646 [ Show all ]
Inchi Key	OJZZJTLBYXHUSJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H14N4O/c1-19-8-6-11-9-12(4-5-14(11)19)17-15(20)18-13-3-2-7-16-10-13/h2-10H,1H3,(H2,17,18,20)
PubChem CID	126769
ChEMBL	CHEMBL85194
IUPHAR	N/A
BindingDB	82272
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	PMID9225287, PMID7582481	BindingDB
Ki	5011.87 nM	PMID8788493	BindingDB

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