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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	MLS000058422
Molecular formula	C15H19ClN2O3
IUPAC name	[2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate
Molecular weight	310.778
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.4
Synonyms	AC1M0XC0 [(5-chloropyridin-2-yl)carbamoyl]methyl 3-cyclopentylpropanoate SMR000064084 HMS2404C05 Z18433691 AKOS033620448 MLS002633704 [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 3-cyclopentylpropanoate 3-cyclopentylpropanoic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester CHEMBL1542860 SR-01000055397 762251-06-9 MCULE-9226800238 ZINC2623125 BDBM31011 MolPort-004-047-917 [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate 3-cyclopentylpropionic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester cid_2085057 SR-01000055397-1 [ Show all ]
Inchi Key	CFPAPTHPFYHAJT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H19ClN2O3/c16-12-6-7-13(17-9-12)18-14(19)10-21-15(20)8-5-11-3-1-2-4-11/h6-7,9,11H,1-5,8,10H2,(H,17,18,19)
PubChem CID	2085057
ChEMBL	CHEMBL1542860
IUPHAR	N/A
BindingDB	31011
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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