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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	MLS000675932
Molecular formula	C16H12ClN3O3S
IUPAC name	5-chloro-2-methylsulfonyl-N-naphthalen-2-ylpyrimidine-4-carboxamide
Molecular weight	361.8
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.8
Synonyms	CHEMBL1480031 STK913227 5-chloro-2-methylsulfonyl-N-(2-naphthalenyl)-4-pyrimidinecarboxamide MCULE-5416058210 5-CHLORO-2-(METHYLSULFONYL)-N-(2-NAPHTHYL)-4-PYRIMIDINECARBOXAMIDE AC1Q4GKY Oprea1_780451 5-chloro-2-mesyl-N-(2-naphthyl)pyrimidine-4-carboxamide BRD-K89789994-001-04-7 cid_991251 Z56771875 325724-72-9 5-chloro-2-methylsulfonyl-N-naphthalen-2-ylpyrimidine-4-carboxamide 5-chloro-2-(methylsulfonyl)-N-(naphthalen-2-yl)pyrimidine-4-carboxamide AKOS001017159 SMR000297158 5-chloro-2-methanesulfonyl-N-(naphthalen-2-yl)pyrimidine-4-carboxamide HMS2620G05 ZINC643945 5-chloranyl-2-methylsulfonyl-N-naphthalen-2-yl-pyrimidine-4-carboxamide AC1LKHDD MolPort-000-399-019 5-chloro-2-(methylsulfonyl)-N-2-naphthyl-4-pyrimidinecarboxamide BDBM70951 [ Show all ]
Inchi Key	FCEVPKDAWILUQM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H12ClN3O3S/c1-24(22,23)16-18-9-13(17)14(20-16)15(21)19-12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H,19,21)
PubChem CID	991251
ChEMBL	CHEMBL1480031
IUPHAR	N/A
BindingDB	N/A
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	2072.0 nM	PubChem BioAssay data set	ChEMBL

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