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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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-01000759121-1
Molecular formula	C23H23NO4
IUPAC name	[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-hydroxy-2-phenylacetate
Molecular weight	377.44
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.7
Synonyms	2-hydroxy-2-phenyl-acetic acid [2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester MCULE-9529203459 AKOS033705184 Z19752872 1014404-91-1 CHEMBL1556535 2-hydroxy-2-phenylacetic acid [2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl] ester MolPort-005-748-867 BDBM41722 [2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-hydroxy-2-phenylacetate 2-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl 2-hydroxy-2-phenylacetate cid_23566939 [2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-oxidanyl-2-phenyl-ethanoate [ Show all ]
Inchi Key	CCBQLGGKCXDGFS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H23NO4/c1-16-13-20(17(2)24(16)14-18-9-5-3-6-10-18)21(25)15-28-23(27)22(26)19-11-7-4-8-12-19/h3-13,22,26H,14-15H2,1-2H3
PubChem CID	23566939
ChEMBL	CHEMBL1556535
IUPHAR	N/A
BindingDB	41722
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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