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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	MLS000094258
Molecular formula	C15H10N4O2
IUPAC name	2,6-dioxo-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile
Molecular weight	278.271
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	0.5
Synonyms	2,5-dioxo-1-prop-2-enyl-3-dipyrido[1,2-d:3'',4''-f]pyrimidinecarbonitrile CCG-143052 SMR000029848 cid_3239161 STK906629 2,5-bis(oxidanylidene)-1-prop-2-enyl-dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile AKOS001868129 2,5-dioxo-1-prop-2-enyldipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile SR-01000100559 1-allyl-2,5-diketo-dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile 891034-44-9 HMS2189N04 Z1213746465 2,5-dioxo-1-(prop-2-en-1-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile BDBM30862 MolPort-004-835-679 2,6-dioxo-7-(prop-2-en-1-yl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile CHEMBL1300662 SR-01000100559-1 1-allyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile AC1MMI7W MCULE-8304881098 ZINC4101572 [ Show all ]
Inchi Key	ARCGSTOFFXSCJR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H10N4O2/c1-2-6-19-13-11(8-10(9-16)14(19)20)15(21)18-7-4-3-5-12(18)17-13/h2-5,7-8H,1,6H2
PubChem CID	3239161
ChEMBL	CHEMBL1300662
IUPHAR	N/A
BindingDB	30862
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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