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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	MLS000557830
Molecular formula	C24H23N3O
IUPAC name	2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
Molecular weight	369.468
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.1
Synonyms	2-(3,4-Dihydro-1H-isoquinolin-2-yl)-7-p-tolyl-7,8-dihydro-6H-quinazolin-5-one BDBM41674 MolPort-000-413-795 7-(4-methylphenyl)-2-(2-1,2,3,4-tetrahydroisoquinolyl)-6,7,8-trihydroquinazoli n-5-one CHEMBL1400890 STK211304 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one AKOS000613900 MCULE-9014633166 2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-(4-methylphenyl)-7,8-dihydroquinazolin-5(6H)-one CCG-123939 SMR000148546 842957-38-4 cid_4563710 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-(p-tolyl)-7,8-dihydro-6H-quinazolin-5-one AKOS016163892 ST50162082 AC1NCRV7 HMS2416G23 [ Show all ]
Inchi Key	AEKWYFFLXFCONP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H23N3O/c1-16-6-8-18(9-7-16)20-12-22-21(23(28)13-20)14-25-24(26-22)27-11-10-17-4-2-3-5-19(17)15-27/h2-9,14,20H,10-13,15H2,1H3
PubChem CID	4563710
ChEMBL	CHEMBL1400890
IUPHAR	N/A
BindingDB	41674
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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