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GLASS

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GPCR

Name	Sphingosine 1-phosphate receptor 3
Species	Homo sapiens (Human)
Gene	S1PR3
Synonym	Sphingosine 1-phosphate receptor Edg-3 S1P3 receptor S1P3 S1P receptor Edg-3 S1P receptor 3 Endothelial differentiation G-protein coupled receptor 3 endothelial differentiation G protein-coupled receptor 3 edg3 [ Show all ]
Disease	Breast cancer
Length	378
Amino acid sequence	MATALPPRLQPVRGNETLREHYQYVGKLAGRLKEASEGSTLTTVLFLVICSFIVLENLMVLIAIWKNNKFHNRMYFFIGNLALCDLLAGIAYKVNILMSGKKTFSLSPTVWFLREGSMFVALGASTCSLLAIAIERHLTMIKMRPYDANKRHRVFLLIGMCWLIAFTLGALPILGWNCLHNLPDCSTILPLYSKKYIAFCISIFTAILVTIVILYARIYFLVKSSSRKVANHNNSERSMALLRTVVIVVSVFIACWSPLFILFLIDVACRVQACPILFKAQWFIVLAVLNSAMNPVIYTLASKEMRRAFFRLVCNCLVRGRGARASPIQPALDPSRSKSSSSNNSSHSPKVKEDLPHTAPSSCIMDKNAALQNGIFCN
UniProt	Q99500
Protein Data Bank	N/A
GPCR-HGmod model	Q99500
3D structure model	This predicted structure model is from GPCR-EXP Q99500.
BioLiP	N/A
Therapeutic Target Database	T11241
ChEMBL	CHEMBL3892
IUPHAR	277
DrugBank	N/A

Ligand

Name	MLS000090902
Molecular formula	C19H21NO4
IUPAC name	2-methoxyethyl 3-methyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate
Molecular weight	327.38
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.6
Synonyms	2-methoxyethyl 3-methyl-4-oxidanylidene-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate AKOS003368459 2-methoxyethyl 3-methyl-4-oxo-6-phenyl-5,6,7-trihydroindole-2-carboxylate SR-01000094407 4-keto-3-methyl-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylic acid 2-methoxyethyl ester HMS2295G13 STK405198 2-methoxyethyl 3-methyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate AKOS022032684 MolPort-000-910-062 3-methyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylic acid 2-methoxyethyl ester CHEMBL1576132 SR-01000094407-1 AC1MMJOK MCULE-6761750003 2-methoxyethyl 3-methyl-4-oxo-6-phenyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate BDBM31065 SMR000025505 cid_3239810 ST50641877 [ Show all ]
Inchi Key	AQLXIJYAVMSMFH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21NO4/c1-12-17-15(20-18(12)19(22)24-9-8-23-2)10-14(11-16(17)21)13-6-4-3-5-7-13/h3-7,14,20H,8-11H2,1-2H3
PubChem CID	3239810
ChEMBL	CHEMBL1576132
IUPHAR	N/A
BindingDB	31065
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	<50000.0 nM	N/A	BindingDB

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