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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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Go to the ligand page and check other GPCRs which it interacts with.
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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	MLS000054921
Molecular formula	C14H15NO3
IUPAC name	1-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyrrolidine-2,5-dione
Molecular weight	245.278
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	1.3
Synonyms	AC1M2APX SMR000066842 1-[2-(2,5-dimethylphenyl)-2-keto-ethyl]pyrrolidine-2,5-quinone HMS2300C04 AKOS005943386 ZX-AH000885 CHEMBL1469819 1-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]pyrrolidine-2,5-dione ABA-9409501 BDBM37394 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyrrolidine-2,5-dione cid_2113808 [ Show all ]
Inchi Key	ABRXQVRQIGDIBT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H15NO3/c1-9-3-4-10(2)11(7-9)12(16)8-15-13(17)5-6-14(15)18/h3-4,7H,5-6,8H2,1-2H3
PubChem CID	2113808
ChEMBL	CHEMBL1469819
IUPHAR	N/A
BindingDB	37394
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	<49800.0 nM	N/A	BindingDB

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