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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-(2-thienyl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid
Molecular formula	C13H6F3NO2S2
IUPAC name	3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid
Molecular weight	329.311
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	4.0
Synonyms	HMS2642E17 478080-13-6 AKOS005102725 MLS000755154 CHEMBL1443201 SR-01000742639-2 3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid 8J-038 KS-000020DF BDBM41616 MolPort-002-879-953 3-(thiophen-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid cid_1486483 ZINC1400637 AC1LSE11 MCULE-3456550579 SMR000338022 3-thiophen-2-yl-6-(trifluoromethyl)-2-thieno[3,2-b]pyridinecarboxylic acid [ Show all ]
Inchi Key	DATGNBAKWXHSMN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H6F3NO2S2/c14-13(15,16)6-4-8-10(17-5-6)9(7-2-1-3-20-7)11(21-8)12(18)19/h1-5H,(H,18,19)
PubChem CID	1486483
ChEMBL	CHEMBL1443201
IUPHAR	N/A
BindingDB	41616
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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