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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	MLS000109722
Molecular formula	C15H19BrN2O
IUPAC name	N-(5-bromopyridin-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
Molecular weight	323.234
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.7
Synonyms	STL356738 BIM-0043140.P001 N-(5-bromo-2-pyridinyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxamide AC1MESLY N-(5-bromopyridin-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide BAS 00728538 HMS2309H09 CBMicro_043102 MolPort-001-015-072 N-(5-bromo-2-pyridyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxamide AKOS000639937 CHEMBL1443192 SMR000105661 BDBM37503 MCULE-4945022765 412940-93-3 CHEBI:105741 N-(5-bromanylpyridin-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide N-(5-bromopyridin-2-yl)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxamide AKOS017099688 cid_2883391 [ Show all ]
Inchi Key	AXIVSTHBJFCRNV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H19BrN2O/c1-9(2)7-11-13(15(11,3)4)14(19)18-12-6-5-10(16)8-17-12/h5-8,11,13H,1-4H3,(H,17,18,19)
PubChem CID	2883391
ChEMBL	CHEMBL1443192
IUPHAR	N/A
BindingDB	37503
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	2148.0 nM	N/A	BindingDB

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