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GLASS

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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-02000000326
Molecular formula	C18H22ClN3O3
IUPAC name	(1-anilino-1-oxopropan-2-yl) 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate
Molecular weight	363.842
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.0
Synonyms	5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxylic acid (1-anilino-1-oxopropan-2-yl) ester MolPort-009-247-124 (1-anilino-1-oxopropan-2-yl) 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate BDBM79485 Z21301544 1197704-05-4 cid_44640168 (1-oxidanylidene-1-phenylazanyl-propan-2-yl) 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylic acid (2-anilino-2-keto-1-methyl-ethyl) ester MCULE-2673691430 AKOS033769108 SR-02000000326-1 1-(phenylcarbamoyl)ethyl 5-chloro-3-methyl-1-(2-methylpropyl)-1H-pyrazole-4-carboxylate CHEMBL1716134 [ Show all ]
Inchi Key	BAKKVYJMCVFBLD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H22ClN3O3/c1-11(2)10-22-16(19)15(12(3)21-22)18(24)25-13(4)17(23)20-14-8-6-5-7-9-14/h5-9,11,13H,10H2,1-4H3,(H,20,23)
PubChem CID	44640168
ChEMBL	CHEMBL1716134
IUPHAR	N/A
BindingDB	79485
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	BindingDB,ChEMBL

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