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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	MLS000529745
Molecular formula	C26H28N4O4S2
IUPAC name	ethyl 4-[2-[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl]sulfanylacetyl]piperazine-1-carboxylate
Molecular weight	524.654
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.0
Synonyms	ethyl 4-(2-((2-((4-([1,1'-biphenyl]-4-yl)thiazol-2-yl)amino)-2-oxoethyl)thio)acetyl)piperazine-1-carboxylate MolPort-003-025-774 AKOS024583476 F0558-0175 SMR000126825 4-[1-oxo-2-[[2-oxo-2-[[4-(4-phenylphenyl)-2-thiazolyl]amino]ethyl]thio]ethyl]-1-piperazinecarboxylic acid ethyl ester CHEMBL1470979 ZINC8653919 681224-07-7 ethyl 4-[2-[2-oxidanylidene-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl]sulfanylethanoyl]piperazine-1-carboxylate Oprea1_145118 BDBM41598 HMS2242F06 SR-01000694948 4-[2-[[2-keto-2-[[4-(4-phenylphenyl)thiazol-2-yl]amino]ethyl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester cid_5235407 MLS000529745-02 AC1NR6PC ethyl 4-[2-[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl]sulfanylacetyl]piperazine-1-carboxylate REGID_for_CID_5235407 MCULE-2420625182 SR-01000694948-2 [ Show all ]
Inchi Key	APVKJTYNBUKNKK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H28N4O4S2/c1-2-34-26(33)30-14-12-29(13-15-30)24(32)18-35-17-23(31)28-25-27-22(16-36-25)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,16H,2,12-15,17-18H2,1H3,(H,27,28,31)
PubChem CID	5235407
ChEMBL	CHEMBL1470979
IUPHAR	N/A
BindingDB	41598
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	873.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	2467.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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