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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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Go to the ligand page and check other GPCRs which it interacts with.
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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	SMR000016951
Molecular formula	C21H19N3O5
IUPAC name	N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
Molecular weight	393.399
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.3
Synonyms	CHEMBL1456172 N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethylphenyl)-2,4-bis(oxidanylidene)-1H-pyrimidine-5-carboxamide HMS2493O16 N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(3,4-dimethylphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide AKOS001893988 MLS000102810 ZINC2916908 cid_3242073 N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethylphenyl)-2,4-diketo-1H-pyrimidine-5-carboxamide MCULE-3871135898 N-2,3-dihydro-1,4-benzodioxin-6-yl-3-(3,4-dimethylphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide BDBM37332 MolPort-003-050-996 F0696-0370 N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide AC1MMORW MLS000094454 [ Show all ]
Inchi Key	AYDRQXWCJIQSOB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H19N3O5/c1-12-3-5-15(9-13(12)2)24-20(26)16(11-22-21(24)27)19(25)23-14-4-6-17-18(10-14)29-8-7-28-17/h3-6,9-11H,7-8H2,1-2H3,(H,22,27)(H,23,25)
PubChem CID	3242073
ChEMBL	N/A
IUPHAR	N/A
BindingDB	37332
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<45000.0 nM	N/A	BindingDB

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