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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	CHEMBL432813
Molecular formula	C20H36NO5P
IUPAC name	3-[(3-methoxy-5-methyl-4-octoxyphenyl)methylamino]propylphosphonic acid
Molecular weight	401.484
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	1.3
Synonyms	BDBM50148419 SCHEMBL14195692 [3-(3-Methoxy-5-methyl-4-octyloxy-benzylamino)-propyl]-phosphonic acid
Inchi Key	LYZKFLGVDKUPAP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H36NO5P/c1-4-5-6-7-8-9-12-26-20-17(2)14-18(15-19(20)25-3)16-21-11-10-13-27(22,23)24/h14-15,21H,4-13,16H2,1-3H3,(H2,22,23,24)
PubChem CID	10173002
ChEMBL	CHEMBL432813
IUPHAR	N/A
BindingDB	50148419
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	<10000.0 nM	PMID15177461	BindingDB,ChEMBL
IC50	19.0 nM	PMID15177461	BindingDB,ChEMBL

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