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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	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	Abt-418
Molecular formula	C9H14N2O
IUPAC name	3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole
Molecular weight	166.224
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	1.2
Synonyms	ZINC3786099 3-Methyl-5-(1-methyl-2(S)-pyrrolidinyl)isoxazole AKOS006273438 Isoxazole, 3-methyl-5-(1-methyl-2-pyrrolidinyl)-, (S)- (s)-3-methyl-5-(1-methyl-2-pyrrolidinyl) isoxazole 3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole CHEMBL274525 LS-173303 SCHEMBL194161 147402-53-7 ILLGYRJAYAAAEW-QMMMGPOBSA-N 3-methyl-5-(1-methyl-2-pyrrolidinyl)isoxazole BDBM50035398 Isoxazole, 3-methyl-5-[(2S)-1-methyl-2-pyrrolidinyl]- NCGC00165725-01 (S)-3-Methyl-5-(1-methyl-2-pyrrolidinyl)isoxazole D09ADT UNII-B9I6MZL7BW component ILLGYRJAYAAAEW-QMMMGPOBSA-N 3-Methyl-5-((S)-1-methyl-pyrrolidin-2-yl)-isoxazole AC1L3OPH Isoxazole, 3-methyl-5-((2S)-1-methyl-2-pyrrolidinyl)- (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-pyrrolidinium 3-Methyl-5-(1methyl-2(S)-pyrrolidinyl)isoxazole C9H14N2O KB-74388 NCGC00165725-02 (S)-3-methyl-5-(1-methylpyrrolidin-2-yl)isoxazole Abt 418 DTXSID10163711 [ Show all ]
Inchi Key	ILLGYRJAYAAAEW-QMMMGPOBSA-N
Inchi ID	InChI=1S/C9H14N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3/t8-/m0/s1
PubChem CID	119380
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50035398
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	PMID7518514	BindingDB

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