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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	CHEMBL3213728
Molecular formula	C23H25ClN6O3
IUPAC name	N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
Molecular weight	468.942
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	4.0
Synonyms	MolPort-001-939-528 4,4'-{6-[(2E)-2-{[5-(4-chlorophenyl)furan-2-yl]methylidene}hydrazinyl]pyrimidine-2,4-diyl}dimorpholine MolPort-019-778-210 AKOS000656396 STK024619 BAS 00600118 [ Show all ]
Inchi Key	CKBQHMOUKQZWHR-PCLIKHOPSA-N
Inchi ID	InChI=1S/C23H25ClN6O3/c24-18-3-1-17(2-4-18)20-6-5-19(33-20)16-25-28-21-15-22(29-7-11-31-12-8-29)27-23(26-21)30-9-13-32-14-10-30/h1-6,15-16H,7-14H2,(H,26,27,28)/b25-16+
PubChem CID	9593133
ChEMBL	CHEMBL3213728
IUPHAR	N/A
BindingDB	N/A
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	10780.0 nM	PubChem BioAssay data set	ChEMBL

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