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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	CHEMBL187692
Molecular formula	C21H44NO2P
IUPAC name	methyl-[2-(6-tridecylpiperidin-2-yl)ethyl]phosphinic acid
Molecular weight	373.562
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.2
Synonyms	BDBM50152323 Methyl-[2-(6-tridecyl-piperidin-2-yl)-ethyl]-phosphinic acid
Inchi Key	CDEPDWBJGIUHRS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H44NO2P/c1-3-4-5-6-7-8-9-10-11-12-13-15-20-16-14-17-21(22-20)18-19-25(2,23)24/h20-22H,3-19H2,1-2H3,(H,23,24)
PubChem CID	44394212
ChEMBL	CHEMBL187692
IUPHAR	N/A
BindingDB	50152323
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	250.0 nM	PMID15341940	BindingDB,ChEMBL
IC50	760.0 nM	PMID15341940	BindingDB,ChEMBL

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