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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	MLS000080860
Molecular formula	C16H16O5S2
IUPAC name	(Z)-3,4-bis(benzenesulfonyl)but-2-en-1-ol
Molecular weight	352.419
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	1.4
Synonyms	SMR000043655 (Z)-3,4-bis(phenylsulfonyl)but-2-en-1-ol HMS2394J10 AC1NTW5P (Z)-3,4-bis(benzenesulfonyl)-2-buten-1-ol CHEMBL1465527 (Z)-3,4-dibesylbut-2-en-1-ol BDBM36923 (Z)-3,4-bis(benzenesulfonyl)but-2-en-1-ol cid_5389617 [ Show all ]
Inchi Key	AIAKDUWZCKEZRU-WJDWOHSUSA-N
Inchi ID	InChI=1S/C16H16O5S2/c17-12-11-16(23(20,21)15-9-5-2-6-10-15)13-22(18,19)14-7-3-1-4-8-14/h1-11,17H,12-13H2/b16-11-
PubChem CID	5389617
ChEMBL	CHEMBL1465527
IUPHAR	N/A
BindingDB	36923
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	3072.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	3707.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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