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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	SMR000180629
Molecular formula	C20H16N2OS
IUPAC name	3-(1,3-benzothiazol-2-yl)-1-[(4-methylphenyl)methyl]pyridin-2-one
Molecular weight	332.421
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.4
Synonyms	3-(1,3-benzothiazol-2-yl)-1-(4-methylbenzyl)-2-pyridone BDBM41682 MolPort-002-850-894 3-(1,3-benzothiazol-2-yl)-1-[(4-methylphenyl)methyl]pyridin-2-one cid_1472015 10J-324S AC1LSVAC MCULE-7554647408 3-(1,3-benzothiazol-2-yl)-1-[(4-methylphenyl)methyl]-1,2-dihydropyridin-2-one HMS2405A06 3-(1,3-benzothiazol-2-yl)-1-(4-methylbenzyl)-2(1H)-pyridinone AKOS005074999 MLS000327636 3-(1,3-benzothiazol-2-yl)-1-[(4-methylphenyl)methyl]-2-pyridinone CHEMBL1582179 ZINC1383359 860609-20-7 KS-00002XLH [ Show all ]
Inchi Key	DCDKMESAFQTANT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H16N2OS/c1-14-8-10-15(11-9-14)13-22-12-4-5-16(20(22)23)19-21-17-6-2-3-7-18(17)24-19/h2-12H,13H2,1H3
PubChem CID	1472015
ChEMBL	CHEMBL1582179
IUPHAR	N/A
BindingDB	41682
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	4144.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
EC50	24000.0 nM	N/A	BindingDB

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