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GLASS

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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	MLS000040640
Molecular formula	C18H25N5O2
IUPAC name	ethyl 4-(cyclohexylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate
Molecular weight	343.431
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.2
Synonyms	MCULE-5156124346 909861-07-0 ethyl 4-(cyclohexylamino)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine-5-carboxylate REGID_for_CID_662276 BDBM36917 KSC-6-231 STL338994 4-(cyclohexylamino)-2-(3,5-dimethyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester CHEMBL1422386 AC1LD72C ethyl 4-(cyclohexylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate SCHEMBL4217315 CHEBI:109564 KUC105637N ZINC8762731 4-(cyclohexylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylic acid ethyl ester cid_662276 MolPort-002-596-622 AKOS022108431 HMS2386O13 SMR000042884 [ Show all ]
Inchi Key	CHDHJASAMSWOTG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H25N5O2/c1-4-25-17(24)15-11-19-18(23-13(3)10-12(2)22-23)21-16(15)20-14-8-6-5-7-9-14/h10-11,14H,4-9H2,1-3H3,(H,19,20,21)
PubChem CID	662276
ChEMBL	CHEMBL1422386
IUPHAR	N/A
BindingDB	36917
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1751.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	4393.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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