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GLASS

You can:

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	Pseudoisocyanine
Molecular formula	C23H23N2+
IUPAC name	(2E)-1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]quinoline
Molecular weight	327.451
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	5.6
Synonyms	(2E)-1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylene]quinoline;chloride 1-ethyl-2-[(E)-(1-ethylquinolin-2(1H)-ylidene)methyl]quinolinium AC1L2OT9 CHEBI:38002 MCULE-6975270611 Quinolinium, 1-ethyl-2-((1-ethyl-2(1H)-quinolinylidene)methyl)- (E)-1,1'-diethyl-2,2'-cyanine 20766-49-8 AKOS001591661 D0I5YK NCGC00245542-01 SMR000137574 (2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methylidene]quinoline;chloride 1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylene]quinoline 858276-60-5 CBDivE_000769 DTXSID40174835 Pseudocyanine (2E)-1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]quinoline 1-ethyl-2-{[1-ethylquinolin-2(1H)-ylidene]methyl}quinolinium AC1NUNMU CHEMBL1197556 MLS000532635 SCHEMBL13619260 1,1'-Diethyl-2,2'-cyanine 2402-42-8 (chloride) AN-22287 D0P7DH NCI60_042174 STK396423 (2E)-1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylene]quinoline iodide 1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]quinoline 977-96-8 (iodide) CHEBI:37994 Dy22 (2E)-1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]quinoline;chloride 1613-31-6 (bromide) AC1Q1IYW cid_5717105 MolPort-006-385-585 SCHEMBL737002 1-Ethyl-2-((1-ethyl-2(1H)-quinolylidene)methyl)quinolinium BDBM39687 Diethylpseudoisocyanine NSC-97374 [ Show all ]
Inchi Key	AGJZCWVTGOVGBS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H23N2/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2/h5-17H,3-4H2,1-2H3/q+1
PubChem CID	5484463
ChEMBL	N/A
IUPHAR	N/A
BindingDB	39687
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1081.0 nM	N/A	BindingDB
IC50	3104.0 nM	N/A	BindingDB

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