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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	MLS000075167
Molecular formula	C13H16N4O3S
IUPAC name	N-cyclopentyl-2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
Molecular weight	308.356
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.8
Synonyms	N-cyclopentyl-2-[[5-(5-methylisoxazol-3-yl)-1,3,4-oxadiazol-2-yl]thio]acetamide CHEMBL1337081 SR-01000346090-1 N-cyclopentyl-2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanamide BDBM41639 cid_647358 SMR000008274 N-Cyclopentyl-2-[5-(5-methyl-isoxazol-3-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide AC1LDFPL N-cyclopentyl-2-[[5-(5-methyl-3-isoxazolyl)-1,3,4-oxadiazol-2-yl]thio]acetamide HMS2480N12 SR-01000346090 N-cyclopentyl-2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide ASN 08214614 [ Show all ]
Inchi Key	DCIBYKPFOAKZRE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H16N4O3S/c1-8-6-10(17-20-8)12-15-16-13(19-12)21-7-11(18)14-9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,14,18)
PubChem CID	647358
ChEMBL	CHEMBL1337081
IUPHAR	N/A
BindingDB	41639
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	<50000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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