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GLASS

You can:

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.
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	5-(2,5-dichlorophenyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide
Molecular formula	C19H15Cl2NO2
IUPAC name	5-(2,5-dichlorophenyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide
Molecular weight	360.234
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	5.8
Synonyms	5-[2,5-bis(chloranyl)phenyl]-N-(2,6-dimethylphenyl)furan-2-carboxamide MCULE-1402054314 AKOS002709248 SR-02000000251-1 5-(2,5-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-furancarboxamide CHEMBL1397874 Oprea1_028985 BDBM62407 STL255905 cid_4492589 AC1NBFBJ SR-02000000251 5-(2,5-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-furamide ZINC6860759 [ Show all ]
Inchi Key	DGITVMUSFTWKDH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H15Cl2NO2/c1-11-4-3-5-12(2)18(11)22-19(23)17-9-8-16(24-17)14-10-13(20)6-7-15(14)21/h3-10H,1-2H3,(H,22,23)
PubChem CID	4492589
ChEMBL	CHEMBL1397874
IUPHAR	N/A
BindingDB	62407
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<20000.0 nM	PMID21783362	BindingDB,ChEMBL
IC50	19450.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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