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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	SR-01000759072-1
Molecular formula	C17H19N5OS
IUPAC name	1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
Molecular weight	341.433
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.0
Synonyms	1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone ZINC3344162 MCULE-7421497290 1-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethan-1-one AKOS002477586 1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanone CHEMBL1328093 796093-87-3 MolPort-004-067-787 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-[(1-methyltetrazol-5-yl)thio]ethanone BDBM41692 Z18520129 1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone cid_2460650 AC1M747Z SCHEMBL17385566 [ Show all ]
Inchi Key	AHPQZCDAMIJFNI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H19N5OS/c1-12-9-15(16(23)11-24-17-18-19-20-21(17)3)13(2)22(12)10-14-7-5-4-6-8-14/h4-9H,10-11H2,1-3H3
PubChem CID	2460650
ChEMBL	CHEMBL1328093
IUPHAR	N/A
BindingDB	41692
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<44000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
EC50	29950.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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