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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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-02000000331
Molecular formula	C22H22ClN3O3
IUPAC name	[1-(benzylamino)-1-oxopropan-2-yl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
Molecular weight	411.886
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.3
Synonyms	[1-(benzylamino)-1-oxopropan-2-yl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate 1007990-33-1 MCULE-1737608348 AKOS033941875 SR-02000000331-1 1-(benzylcarbamoyl)ethyl 1-benzyl-5-chloro-3-methyl-1H-pyrazole-4-carboxylate CHEMBL1724292 [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester MolPort-009-250-684 BDBM79490 Z25457335 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester cid_44640170 [ Show all ]
Inchi Key	CYFZABLBALEVFQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H22ClN3O3/c1-15-19(20(23)26(25-15)14-18-11-7-4-8-12-18)22(28)29-16(2)21(27)24-13-17-9-5-3-6-10-17/h3-12,16H,13-14H2,1-2H3,(H,24,27)
PubChem CID	44640170
ChEMBL	CHEMBL1724292
IUPHAR	N/A
BindingDB	79490
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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