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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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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	SMR000023524
Molecular formula	C17H26N2O2
IUPAC name	N,N-dicyclohexyl-5-methyl-1,2-oxazole-3-carboxamide
Molecular weight	290.407
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.2
Synonyms	MCULE-4482829629 SR-01000105088 cid_3245758 N,N-dicyclohexyl-5-methyl-1,2-oxazole-3-carboxamide ST50593938 HMS2432B18 N,N-dicyclohexyl-5-methylisoxazole-3-carboxamide BDBM37337 MLS000087301 SR-01000105088-1 CHEMBL1369793 EU-0023704 N,N-dicyclohexyl-5-methyl-3-isoxazolecarboxamide ZINC2497926 AC1MMX1E IDI1_026221 BRD-K55535892-001-01-3 N,N-dicyclohexyl(5-methylisoxazol-3-yl)carboxamide SR-01000105088-4 ChemDiv3_008311 HMS1496J17 N,N-dicyclohexyl-5-methyl-isoxazole-3-carboxamide AKOS001800287 [ Show all ]
Inchi Key	ACAPZKCRDPYIJW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H26N2O2/c1-13-12-16(18-21-13)17(20)19(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h12,14-15H,2-11H2,1H3
PubChem CID	3245758
ChEMBL	CHEMBL1369793
IUPHAR	N/A
BindingDB	37337
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<50000.0 nM	PubChem BioAssay data set	ChEMBL

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