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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.
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 5
Species	Homo sapiens (Human)
Gene	S1PR5
Synonym	Sphingosine 1-phosphate receptor Edg-8 S1P5 S1P receptor Edg-8 S1P5 receptor S1P receptor 5 NRG-1 nerve growth factor-regulated G-protein-coupled receptor 1 Endothelial differentiation G-protein-coupled receptor 8 endothelial differentiation G protein-coupled receptor 8 edg8 [ Show all ]
Disease	Multiple scierosis
Length	398
Amino acid sequence	MESGLLRPAPVSEVIVLHYNYTGKLRGARYQPGAGLRADAVVCLAVCAFIVLENLAVLLVLGRHPRFHAPMFLLLGSLTLSDLLAGAAYAANILLSGPLTLKLSPALWFAREGGVFVALTASVLSLLAIALERSLTMARRGPAPVSSRGRTLAMAAAAWGVSLLLGLLPALGWNCLGRLDACSTVLPLYAKAYVLFCVLAFVGILAAICALYARIYCQVRANARRLPARPGTAGTTSTRARRKPRSLALLRTLSVVLLAFVACWGPLFLLLLLDVACPARTCPVLLQADPFLGLAMANSLLNPIIYTLTNRDLRHALLRLVCCGRHSCGRDPSGSQQSASAAEASGGLRRCLPPGLDGSFSGSERSSPQRDGLDTSGSTGSPGAPTAARTLVSEPAAD
UniProt	Q9H228
Protein Data Bank	N/A
GPCR-HGmod model	Q9H228
3D structure model	This predicted structure model is from GPCR-EXP Q9H228.
BioLiP	N/A
Therapeutic Target Database	T50089
ChEMBL	CHEMBL2274
IUPHAR	279
DrugBank	BE0002432

Ligand

Name	SR-02000000239
Molecular formula	C19H16ClNO2
IUPAC name	5-(3-chlorophenyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide
Molecular weight	325.792
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	5.2
Synonyms	ZINC447531 5-(3-chlorophenyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide MCULE-2028466521 AKOS002709427 5-(3-chlorophenyl)-N-(2,6-dimethylphenyl)-2-furamide CHEMBL1354080 MolPort-000-227-236 SR-02000000239-1 BDBM62395 5-(3-chlorophenyl)-N-(2,6-dimethylphenyl)-2-furancarboxamide cid_878124 AC1LGWV4 Oprea1_850793 [ Show all ]
Inchi Key	CMIVNSUOASYQSC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H16ClNO2/c1-12-5-3-6-13(2)18(12)21-19(22)17-10-9-16(23-17)14-7-4-8-15(20)11-14/h3-11H,1-2H3,(H,21,22)
PubChem CID	878124
ChEMBL	CHEMBL1354080
IUPHAR	N/A
BindingDB	62395
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	<25000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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