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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	MLS000549502
Molecular formula	C34H45N3O3
IUPAC name	N-[3-(adamantane-1-carbonylamino)-5-(piperidine-1-carbonyl)phenyl]adamantane-1-carboxamide
Molecular weight	543.752
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	5.7
Synonyms	AK-968/12971281 MolPort-001-670-434 SR-01000441741 N-[3-(1-adamantylcarbonylamino)-5-piperidin-1-ylcarbonyl-phenyl]adamantane-1-carboxamide ZINC8432758 HMS2371J23 N-[3-[[1-adamantyl(oxo)methyl]amino]-5-[oxo(1-piperidinyl)methyl]phenyl]-1-adamantanecarboxamide AKOS001628852 N,N'-[5-(piperidin-1-ylcarbonyl)-1,3-phenylene]diadamantane-1-carboxamide SR-01000441741-1 CHEMBL1309450 N-[3-(adamantane-1-carbonylamino)-5-(piperidine-1-carbonyl)phenyl]adamantane-1-carboxamide AC1N802K SMR000114790 BDBM41588 N,N'-[5-(piperidin-1-ylcarbonyl)benzene-1,3-diyl]bistricyclo[3.3.1.1~3,7~]decane-1-carboxamide STL172005 cid_4287683 N-[3-[(1-adamantylcarbonyl)amino]-5-(1-piperidinylcarbonyl)phenyl]-1-adamantanecarboxamide [ Show all ]
Inchi Key	CZWKWMBVBQSYHN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C34H45N3O3/c38-30(37-4-2-1-3-5-37)27-12-28(35-31(39)33-15-21-6-22(16-33)8-23(7-21)17-33)14-29(13-27)36-32(40)34-18-24-9-25(19-34)11-26(10-24)20-34/h12-14,21-26H,1-11,15-20H2,(H,35,39)(H,36,40)
PubChem CID	4287683
ChEMBL	CHEMBL1309450
IUPHAR	N/A
BindingDB	41588
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	793.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	977.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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