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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	BDBM31035
Molecular formula	C23H25N3O6
IUPAC name	ethyl 6-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
Molecular weight	439.468
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.3
Synonyms	4-[4-(2-anilino-2-keto-ethoxy)-3-methoxy-phenyl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester cid_3154442 4-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester ethyl 4-[3-methoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Inchi Key	FUDKKBFANBSPIG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H25N3O6/c1-4-31-22(28)20-14(2)24-23(29)26-21(20)15-10-11-17(18(12-15)30-3)32-13-19(27)25-16-8-6-5-7-9-16/h5-12,20-21H,4,13H2,1-3H3,(H,25,27)(H,26,29)
PubChem CID	91896121
ChEMBL	N/A
IUPHAR	N/A
BindingDB	31035
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	<40000.0 nM	N/A	BindingDB

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