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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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-01000759093-1
Molecular formula	C19H21N5OS
IUPAC name	1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylethanone
Molecular weight	367.471
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.4
Synonyms	2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]ethanone cid_9362718 878564-28-4 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-[(1-cyclopropyltetrazol-5-yl)thio]ethanone 2-[(1-cyclopropyl-5-tetrazolyl)thio]-1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]ethanone MCULE-1149610567 AKOS033394523 Z151959124 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylethanone CHEMBL1522694 MolPort-004-159-873 BDBM41703 ZINC8232141 1-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-[(1-cyclopropyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethan-1-one [ Show all ]
Inchi Key	BYSREAPWUOQKKT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21N5OS/c1-13-10-17(14(2)23(13)11-15-6-4-3-5-7-15)18(25)12-26-19-20-21-22-24(19)16-8-9-16/h3-7,10,16H,8-9,11-12H2,1-2H3
PubChem CID	9362718
ChEMBL	CHEMBL1522694
IUPHAR	N/A
BindingDB	41703
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	<30000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
EC50	<44000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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