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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 2
Species	Homo sapiens (Human)
Gene	S1PR2
Synonym	Endothelial differentiation G-protein coupled receptor 5 Sphingosine 1-phosphate receptor Edg-5 S1P2 receptor S1P2 S1P receptor Edg-5 S1P receptor 2 edg5 endothelial differentiation G protein-coupled receptor 5 GPCR18 Gpcr13 G protein-coupled receptor 13 [ Show all ]
Disease	Hypertension
Length	353
Amino acid sequence	MGSLYSEYLNPNKVQEHYNYTKETLETQETTSRQVASAFIVILCCAIVVENLLVLIAVARNSKFHSAMYLFLGNLAASDLLAGVAFVANTLLSGSVTLRLTPVQWFAREGSAFITLSASVFSLLAIAIERHVAIAKVKLYGSDKSCRMLLLIGASWLISLVLGGLPILGWNCLGHLEACSTVLPLYAKHYVLCVVTIFSIILLAIVALYVRIYCVVRSSHADMAAPQTLALLKTVTIVLGVFIVCWLPAFSILLLDYACPVHSCPILYKAHYFFAVSTLNSLLNPVIYTWRSRDLRREVLRPLQCWRPGVGVQGRRRGGTPGHHLLPLRSSSSLERGMHMPTSPTFLEGNTVV
UniProt	O95136
Protein Data Bank	N/A
GPCR-HGmod model	O95136
3D structure model	This predicted structure model is from GPCR-EXP O95136.
BioLiP	N/A
Therapeutic Target Database	T47888
ChEMBL	CHEMBL2955
IUPHAR	276
DrugBank	N/A

Ligand

Name	3-Methyltoxoflavin
Molecular formula	C8H9N5O2
IUPAC name	1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
Molecular weight	207.193
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	-0.7
Synonyms	1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione BAS 00444306 CS-0034261 methyltoxoflavin SR-01000322764 3-methyl toxoflavin CHEBI:95315 HMS2304H14 NCGC00093522-02 ST50002651 1,3,6-Trimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione cid_460747 KUC104460N SCHEMBL2180986 1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione BDBM34671 D0P0CM MLS000528498 SR-01000322764-1 HY-111117 Pyrimido(5,4-e)-1,2,4-triazine-5,7-(1H,6H)-dione, 1,3,6-trmethyl- STK397047 1,3,6-trimethyl-6-hydropyrimidino[5,4-e]1,2,4-triazine-5,7-dione AC1LA2XZ CPXHNWKHOFNPDO-UHFFFAOYSA-N MCULE-2510138695 SMR000121073 1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-quinone BRD-K80622725-001-10-2 GNF-Pf-2272 NCGC00093522-01 SR-01000322764-3 32502-62-8 CHEMBL601757 KSC-1-228 Pyrimido[5,4-E][1,2,4]triazine-5,7(1H,6H)-dione, 1,3,6-trimethyl- US9073941, 611 [ Show all ]
Inchi Key	CPXHNWKHOFNPDO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H9N5O2/c1-4-9-5-6(13(3)11-4)10-8(15)12(2)7(5)14/h1-3H3
PubChem CID	460747
ChEMBL	CHEMBL601757
IUPHAR	N/A
BindingDB	34671
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	1274.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	1402.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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