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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.
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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	SMR000128117
Molecular formula	C24H20N2O2
IUPAC name	5-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol
Molecular weight	368.436
Hydrogen bond acceptor	2
Hydrogen bond donor	3
XlogP	5.2
Synonyms	5-[bis(1H-indol-3-yl)methyl]-2-methoxy-phenol CHEMBL1373985 AC1OGJ0F MLS000522851 CCG-113194 STK521299 5-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol cid_7118245 AKOS000356396 MolPort-003-840-873 5-(di-1H-indol-3-ylmethyl)-2-methoxyphenol ZINC4165015 6-Methoxy-3-[bis(1H-indole-3-yl)methyl]phenol MCULE-3144917386 BDBM41667 [ Show all ]
Inchi Key	CWMPUSKUSXTPAT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H20N2O2/c1-28-23-11-10-15(12-22(23)27)24(18-13-25-20-8-4-2-6-16(18)20)19-14-26-21-9-5-3-7-17(19)21/h2-14,24-27H,1H3
PubChem CID	7118245
ChEMBL	CHEMBL1373985
IUPHAR	N/A
BindingDB	41667
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
EC50	<50000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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