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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	SR-01000759086-1
Molecular formula	C21H21NO4
IUPAC name	[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 5-methylfuran-2-carboxylate
Molecular weight	351.402
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.1
Synonyms	AC1PK5Y3 NCGC00314648-01 ZINC7977584 877404-52-9 MCULE-2012139363 AKOS001211379 5-methyl-2-furancarboxylic acid [2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl] ester CHEMBL1327672 [2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 5-methylfuran-2-carboxylate AB01309616-01 MolPort-004-144-628 2-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl 5-methylfuran-2-carboxylate BDBM41727 Z24629315 5-methylfuran-2-carboxylic acid [2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester cid_9105373 [2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 5-methylfuran-2-carboxylate [ Show all ]
Inchi Key	DELPOAXSQZSGEJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H21NO4/c1-14-11-18(16(3)22(14)12-17-7-5-4-6-8-17)19(23)13-25-21(24)20-10-9-15(2)26-20/h4-11H,12-13H2,1-3H3
PubChem CID	9105373
ChEMBL	CHEMBL1327672
IUPHAR	N/A
BindingDB	41727
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	<30000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
EC50	<44000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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