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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	MLS000583267
Molecular formula	C23H22N2O4
IUPAC name	3-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(4-nitroanilino)propan-1-one
Molecular weight	390.439
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	5.5
Synonyms	3-(4-methoxyphenyl)-1-(4-methylphenyl)-3-[(4-nitrophenyl)amino]-1-propanone BDBM31354 SMR000201103 cid_2971621 AKOS003597378 3-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(4-nitroanilino)-1-propanone 3-(4-methoxyphenyl)-1-(4-methylphenyl)-3-[(4-nitrophenyl)amino]propan-1-one STK877624 724755-17-3 HMS2545H13 3-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(4-nitroanilino)propan-1-one AKOS022093581 MolPort-000-789-887 3-(4-methoxyphenyl)-3-(4-nitroanilino)-1-(p-tolyl)propan-1-one CHEMBL1510469 AC1MH57C MCULE-3399564790 [ Show all ]
Inchi Key	AZIQFIZOMWOWDB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H22N2O4/c1-16-3-5-18(6-4-16)23(26)15-22(17-7-13-21(29-2)14-8-17)24-19-9-11-20(12-10-19)25(27)28/h3-14,22,24H,15H2,1-2H3
PubChem CID	2971621
ChEMBL	CHEMBL1510469
IUPHAR	N/A
BindingDB	31354
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2053.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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