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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	MLS000737077
Molecular formula	C18H12N2O2
IUPAC name	None
Molecular weight	288.306
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.4
Synonyms	SMR000394031 BDBM47469 cid_238775 ZINC1676023 2-oxidanylidene-N-(2-phenylethenylidene)-4-phenylimino-but-3-enamide NSC-43308 SR-01000769620 HMS2753H22 2-oxo-N-(2-phenylethenylidene)-4-phenylimino-3-butenamide NSC43308 AC1L61QN SR-01000769620-2 2-keto-4-phenylimino-N-styrylidene-but-3-enamide CHEMBL1502358 2-oxo-N-(2-phenylethenylidene)-4-phenyliminobut-3-enamide [ Show all ]
Inchi Key	DDGJLZWYTNCSEI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H12N2O2/c21-17(12-14-19-16-9-5-2-6-10-16)18(22)20-13-11-15-7-3-1-4-8-15/h1-12H
PubChem CID	238775
ChEMBL	CHEMBL1502358
IUPHAR	N/A
BindingDB	47469
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	972.0 nM	PubChem BioAssay data set	ChEMBL
IC50	4548.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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