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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 3
Species	Homo sapiens (Human)
Gene	S1PR3
Synonym	Sphingosine 1-phosphate receptor Edg-3 S1P3 receptor S1P3 S1P receptor Edg-3 S1P receptor 3 Endothelial differentiation G-protein coupled receptor 3 endothelial differentiation G protein-coupled receptor 3 edg3 [ Show all ]
Disease	Breast cancer
Length	378
Amino acid sequence	MATALPPRLQPVRGNETLREHYQYVGKLAGRLKEASEGSTLTTVLFLVICSFIVLENLMVLIAIWKNNKFHNRMYFFIGNLALCDLLAGIAYKVNILMSGKKTFSLSPTVWFLREGSMFVALGASTCSLLAIAIERHLTMIKMRPYDANKRHRVFLLIGMCWLIAFTLGALPILGWNCLHNLPDCSTILPLYSKKYIAFCISIFTAILVTIVILYARIYFLVKSSSRKVANHNNSERSMALLRTVVIVVSVFIACWSPLFILFLIDVACRVQACPILFKAQWFIVLAVLNSAMNPVIYTLASKEMRRAFFRLVCNCLVRGRGARASPIQPALDPSRSKSSSSNNSSHSPKVKEDLPHTAPSSCIMDKNAALQNGIFCN
UniProt	Q99500
Protein Data Bank	N/A
GPCR-HGmod model	Q99500
3D structure model	This predicted structure model is from GPCR-EXP Q99500.
BioLiP	N/A
Therapeutic Target Database	T11241
ChEMBL	CHEMBL3892
IUPHAR	277
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	CTK1E1410 IYOGKTIRIRHPOH-UHFFFAOYSA-N SCHEMBL3846202 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]- [ 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	2.7 nM	PMID15177461, PMID15177460	BindingDB,ChEMBL
IC50	3.1 nM	PMID15341940	BindingDB,ChEMBL
IC50	21.0 nM	PMID15177460	BindingDB,ChEMBL

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