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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	CHEMBL117569
Molecular formula	C21H46NO3P
IUPAC name	3-aminohenicosylphosphonic acid
Molecular weight	391.577
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	5.0
Synonyms	BDBM50148396 SCHEMBL14338675 (3-Amino-henicosyl)-phosphonic acid
Inchi Key	CAOOOKGAJKEHGA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H46NO3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(22)19-20-26(23,24)25/h21H,2-20,22H2,1H3,(H2,23,24,25)
PubChem CID	10216035
ChEMBL	CHEMBL117569
IUPHAR	N/A
BindingDB	50148396
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	130.0 nM	PMID15177460	BindingDB,ChEMBL

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