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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	AC1NW0NQ
Molecular formula	C14H13NO4S
IUPAC name	[(E)-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] benzenesulfonate
Molecular weight	291.321
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	2.5
Synonyms	(2,5-dimethyl-4-oxocyclohexa-2,5-dienylidene)azamethyl benzenesulfonate ZINC3075856 REGID_for_CID_5663704 [(E)-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] benzenesulfonate CHEMBL1986259 ST50168573 AKOS001047967 MLS003429732 [ Show all ]
Inchi Key	AEPLJPYPGBUUDJ-FYWRMAATSA-N
Inchi ID	InChI=1S/C14H13NO4S/c1-10-9-14(16)11(2)8-13(10)15-19-20(17,18)12-6-4-3-5-7-12/h3-9H,1-2H3/b15-13+
PubChem CID	5663704
ChEMBL	CHEMBL1986259
IUPHAR	N/A
BindingDB	N/A
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	2389.0 nM	PubChem BioAssay data set	ChEMBL
IC50	3710.0 nM	PubChem BioAssay data set	ChEMBL

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