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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	CHEMBL3703200
Molecular formula	C36H44FN3O6
IUPAC name	4-(2-ethylbutyl)-N-[3-(4-fluorophenoxy)-5-[4-(3-hydroxypiperidine-1-carbonyl)phenoxy]phenyl]-4-hydroxypiperidine-1-carboxamide
Molecular weight	633.761
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	6.1
Synonyms	BDBM149708 SCHEMBL14839327 US8975409, Example 15(6)
Inchi Key	BZVBOQNGUPRKHW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C36H44FN3O6/c1-3-25(4-2)23-36(44)15-18-39(19-16-36)35(43)38-28-20-32(22-33(21-28)46-31-13-9-27(37)10-14-31)45-30-11-7-26(8-12-30)34(42)40-17-5-6-29(41)24-40/h7-14,20-22,25,29,41,44H,3-6,15-19,23-24H2,1-2H3,(H,38,43)
PubChem CID	89484784
ChEMBL	CHEMBL3703200
IUPHAR	N/A
BindingDB	149708
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	5.1 nM	, None	BindingDB,ChEMBL

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