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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	Sphingosine 1-phosphate receptor 2
Species	Homo sapiens (Human)
Gene	S1PR2
Synonym	Endothelial differentiation G-protein coupled receptor 5 Sphingosine 1-phosphate receptor Edg-5 S1P2 receptor S1P2 S1P receptor Edg-5 S1P receptor 2 edg5 endothelial differentiation G protein-coupled receptor 5 GPCR18 Gpcr13 G protein-coupled receptor 13 [ Show all ]
Disease	Hypertension
Length	353
Amino acid sequence	MGSLYSEYLNPNKVQEHYNYTKETLETQETTSRQVASAFIVILCCAIVVENLLVLIAVARNSKFHSAMYLFLGNLAASDLLAGVAFVANTLLSGSVTLRLTPVQWFAREGSAFITLSASVFSLLAIAIERHVAIAKVKLYGSDKSCRMLLLIGASWLISLVLGGLPILGWNCLGHLEACSTVLPLYAKHYVLCVVTIFSIILLAIVALYVRIYCVVRSSHADMAAPQTLALLKTVTIVLGVFIVCWLPAFSILLLDYACPVHSCPILYKAHYFFAVSTLNSLLNPVIYTWRSRDLRREVLRPLQCWRPGVGVQGRRRGGTPGHHLLPLRSSSSLERGMHMPTSPTFLEGNTVV
UniProt	O95136
Protein Data Bank	N/A
GPCR-HGmod model	O95136
3D structure model	This predicted structure model is from GPCR-EXP O95136.
BioLiP	N/A
Therapeutic Target Database	T47888
ChEMBL	CHEMBL2955
IUPHAR	276
DrugBank	N/A

Ligand

Name	SMR000094367
Molecular formula	C23H27N3O5S
IUPAC name	2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-[(3-methoxyphenyl)methyl]acetamide
Molecular weight	457.545
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.4
Synonyms	MLS000117417 AC1NSFRD N~2~-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N~2~-(3,5-dimethylphenyl)-N~1~-(3-methoxybenzyl)glycinamide 2-(N-(3,5-dimethylisoxazol-4-yl)sulfonyl-3,5-dimethyl-anilino)-N-m-anisyl-acetamide HMS2258D11 2-[N-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-3,5-dimethylanilino]-N-[(3-methoxyphenyl)methyl]acetamide AKOS001827413 MLS000878390 CHEMBL1566841 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-(3,5-dimethylphenyl)amino]-N-[(3-methoxyphenyl)methyl]ethanamide MCULE-6473427566 BDBM41659 MolPort-007-636-791 cid_5308908 ZINC6577411 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-[(3-methoxyphenyl)methyl]acetamide [ Show all ]
Inchi Key	AWZYKXWLZVIQJJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H27N3O5S/c1-15-9-16(2)11-20(10-15)26(32(28,29)23-17(3)25-31-18(23)4)14-22(27)24-13-19-7-6-8-21(12-19)30-5/h6-12H,13-14H2,1-5H3,(H,24,27)
PubChem CID	5308908
ChEMBL	CHEMBL1566841
IUPHAR	N/A
BindingDB	41659
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<50000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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