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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 4
Species	Homo sapiens (Human)
Gene	S1PR4
Synonym	S1P4 receptor S1P4 S1P receptor Edg-6 S1P receptor 4 endothelial differentiation, G protein-coupled receptor 6 Endothelial differentiation G-protein coupled receptor 6 edg6 Sphingosine 1-phosphate receptor Edg-6 [ Show all ]
Disease	N/A
Length	384
Amino acid sequence	MNATGTPVAPESCQQLAAGGHSRLIVLHYNHSGRLAGRGGPEDGGLGALRGLSVAASCLVVLENLLVLAAITSHMRSRRWVYYCLVNITLSDLLTGAAYLANVLLSGARTFRLAPAQWFLREGLLFTALAASTFSLLFTAGERFATMVRPVAESGATKTSRVYGFIGLCWLLAALLGMLPLLGWNCLCAFDRCSSLLPLYSKRYILFCLVIFAGVLATIMGLYGAIFRLVQASGQKAPRPAARRKARRLLKTVLMILLAFLVCWGPLFGLLLADVFGSNLWAQEYLRGMDWILALAVLNSAVNPIIYSFRSREVCRAVLSFLCCGCLRLGMRGPGDCLARAVEAHSGASTTDSSLRPRDSFRGSRSLSFRMREPLSSISSVRSI
UniProt	O95977
Protein Data Bank	N/A
GPCR-HGmod model	O95977
3D structure model	This predicted structure model is from GPCR-EXP O95977.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3230
IUPHAR	278
DrugBank	N/A

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 BDBM62395 SR-02000000239-1 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	497.0 nM	, PMID21570287, PubChem BioAssay data set	BindingDB,ChEMBL

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