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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	SR-01000759097-1
Molecular formula	C26H25N3O4
IUPAC name	3'-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
Molecular weight	443.503
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.3
Synonyms	3''-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5''-imidazolidine]-2'',4''-dione CHEMBL1605618 MolPort-004-176-217 1'-[2-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-2,3-dihydrospiro[1-benzopyran-4,4'-imidazolidine]-2',5'-dione BDBM41707 3''-[2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]spiro[3,4-dihydro-2H-1-benzopyran-4,5''-imidazolidine]-2'',4''-dione cid_16318531 920593-11-9 3''-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]spiro[chroman-4,5''-imidazolidine]-2'',4''-quinone 3''-[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]spiro[2,3-dihydrochromene-4,5''-imidazolidine]-2'',4''-dione MCULE-6818361900 AKOS033486812 Z16337226 [ Show all ]
Inchi Key	BOEDCQYIXGOQJR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H25N3O4/c1-17-14-20(18(2)28(17)15-19-8-4-3-5-9-19)22(30)16-29-24(31)26(27-25(29)32)12-13-33-23-11-7-6-10-21(23)26/h3-11,14H,12-13,15-16H2,1-2H3,(H,27,32)
PubChem CID	16318531
ChEMBL	CHEMBL1605618
IUPHAR	N/A
BindingDB	41707
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	<30000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
EC50	<44000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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