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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
Molecular formula	C12H6F3NS2
IUPAC name	3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine
Molecular weight	285.302
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.2
Synonyms	3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine CHEMBL1395037 8J-044 MCULE-6012624191 BDBM41621 ZINC1400639 cid_1486485 AC1LSE17 MolPort-002-879-955 3-(thiophen-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridine 478080-15-8 KS-00003EF8 AKOS005102757 SR-01000759131-1 [ Show all ]
Inchi Key	CHXUVLIATZSHGQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H6F3NS2/c13-12(14,15)7-4-10-11(16-5-7)8(6-18-10)9-2-1-3-17-9/h1-6H
PubChem CID	1486485
ChEMBL	CHEMBL1395037
IUPHAR	N/A
BindingDB	41621
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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