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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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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	3-acetyl-7-hydroxy-2H-chromen-2-one
Molecular formula	C11H8O4
IUPAC name	3-acetyl-7-hydroxychromen-2-one
Molecular weight	204.181
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	1.4
Synonyms	CHEMBL153064 FT-0660659 SBB014460 3-acetyl-7-hydroxy-2-oxochromene 3-acetyl-umbelliferone, for fluorescence AX8083555 D09BVA KB-234481 ST4140159 10441-27-7 3-Acetyl-7-hydroxy-chromen-2-one AB00073948-01 BDBM50096008 CBDivE_005922 EU-0017123 MolPort-000-820-976 ZB001418 3-acethyl-umbelliferone 3-Acetyl-7-hydroxycoumarin AKOS000275988 cid_5392139 I14-33534 SCHEMBL592707 3-acetylumbelliferone BBL005231 BRQZHMHHZLRXOO-UHFFFAOYSA-N DB-059132 MCULE-4560602489 STK365153 2H-1-Benzopyran-2-one, 3-acetyl-7-hydroxy- 3-acetyl-7-hydroxy-chromen-2-one ,98% AC1NU0NR F0110-0011 RP26078 ZINC47516 3-Acetyl-7-Hydroxy-1H-Chromen-2-One 3-Acetyl-umbelliferone ASIS-0097 CTK4A3026 J-511501 SMR000414056 0991AA 3-acetyl-7-hydroxy-2h-chromen-2-one ,98% BB_NC-01216 C-46757 DTXSID20419817 MLS000777662 TC-071471 2H-1-Benzopyran-2-one,3-acetyl-7-hydroxy- 3-acetyl-7-hydroxychromen-2-one AJ-09056 [ Show all ]
Inchi Key	BRQZHMHHZLRXOO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H8O4/c1-6(12)9-4-7-2-3-8(13)5-10(7)15-11(9)14/h2-5,13H,1H3
PubChem CID	5392139
ChEMBL	CHEMBL153064
IUPHAR	N/A
BindingDB	50096008
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	1880.0 nM	PubChem BioAssay data set	ChEMBL

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