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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.
Go to the GPCR page and check other ligands which interact with it.
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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	CHEMBL118860
Molecular formula	C19H34NO3P
IUPAC name	3-[(4-nonylphenyl)methylamino]propylphosphonic acid
Molecular weight	355.459
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	2.1
Synonyms	D0D5QS 569684-50-0 N-(4-Nonylbenzyl)-3-aminopropylphosphonic acid [3-(4-Nonyl-benzylamino)-propyl]-phosphonic acid DTXSID10471181 BDBM50148394 Phosphonic acid, [3-[[(4-nonylphenyl)methyl]amino]propyl]- CTK1E1410 IYOGKTIRIRHPOH-UHFFFAOYSA-N SCHEMBL3846202 [ Show all ]
Inchi Key	IYOGKTIRIRHPOH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H34NO3P/c1-2-3-4-5-6-7-8-10-18-11-13-19(14-12-18)17-20-15-9-16-24(21,22)23/h11-14,20H,2-10,15-17H2,1H3,(H2,21,22,23)
PubChem CID	11725751
ChEMBL	CHEMBL118860
IUPHAR	N/A
BindingDB	50148394
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	PMID15177460	BindingDB,ChEMBL
IC50	0.7 nM	PMID15177461, PMID15177460	BindingDB
IC50	0.7 nM	PMID15177461, PMID15177460	ChEMBL
IC50	5.5 nM	PMID15177460	BindingDB,ChEMBL
IC50	320.0 nM	PMID15341940	BindingDB,ChEMBL
IC50	750.0 nM	PMID15177461, PMID15177460	BindingDB,ChEMBL

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