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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	CHEMBL1077288
Molecular formula	C20H33NO3
IUPAC name	(4S)-4-amino-6-(4-heptoxyphenyl)-4-methylhexanoic acid
Molecular weight	335.488
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.3
Synonyms	BDBM50313502 (S)-4-amino-6-(4-(heptyloxy)phenyl)-4-methylhexanoic acid
Inchi Key	DGAGMTJLEUOLJC-FQEVSTJZSA-N
Inchi ID	InChI=1S/C20H33NO3/c1-3-4-5-6-7-16-24-18-10-8-17(9-11-18)12-14-20(2,21)15-13-19(22)23/h8-11H,3-7,12-16,21H2,1-2H3,(H,22,23)/t20-/m0/s1
PubChem CID	46881876
ChEMBL	CHEMBL1077288
IUPHAR	N/A
BindingDB	50313502
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	3100.0 nM	PMID20153186	BindingDB,ChEMBL

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