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GLASS

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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	methyl 3-(2-pyridinyl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate
Molecular formula	C15H9F3N2O2S
IUPAC name	methyl 3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate
Molecular weight	338.304
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	3.6
Synonyms	MCULE-3582198942 ZINC1400632 AC1LSE0M methyl 3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate 3-(2-pyridinyl)-6-(trifluoromethyl)-2-thieno[3,2-b]pyridinecarboxylic acid methyl ester HMS2652H03 SMR000334865 478080-11-4 AKOS005102665 CHEMBL1414715 MLS000694988 3-(2-pyridyl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid methyl ester KS-000020DC SR-01000755162-2 8J-032 BDBM41625 methyl 3-(pyridin-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate cid_1486478 MolPort-002-879-950 [ Show all ]
Inchi Key	DEQDEIDIVREGPF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H9F3N2O2S/c1-22-14(21)13-11(9-4-2-3-5-19-9)12-10(23-13)6-8(7-20-12)15(16,17)18/h2-7H,1H3
PubChem CID	1486478
ChEMBL	CHEMBL1414715
IUPHAR	N/A
BindingDB	41625
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	<30000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	<40000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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