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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-01000759123-1
Molecular formula	C22H22N2O3
IUPAC name	4-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]benzamide
Molecular weight	362.429
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.3
Synonyms	AKOS000849502 Z18242854 4-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]benzamide CHEMBL1354296 MolPort-003-242-903 4-[2-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethoxy]benzamide BDBM41740 ZINC12796687 4-[2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethoxy]benzamide cid_16545473 939194-42-0 4-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethoxy]benzamide 4-[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethoxy]benzamide MCULE-4910391155 [ Show all ]
Inchi Key	BVHONABPMWKGAW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H22N2O3/c1-15-12-20(16(2)24(15)13-17-6-4-3-5-7-17)21(25)14-27-19-10-8-18(9-11-19)22(23)26/h3-12H,13-14H2,1-2H3,(H2,23,26)
PubChem CID	16545473
ChEMBL	CHEMBL1354296
IUPHAR	N/A
BindingDB	41740
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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