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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	Sphingosine 1-phosphate
Molecular formula	C18H38NO5P
IUPAC name	[(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate
Molecular weight	379.478
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	1.9
Synonyms	(2S,3R,E)-2-Amino-3-hydroxyoctadec-4-enyl dihydrogen phosphate C18-Sphingosine 1-phosphate D-erythro-Sphingosine-1-phosphate LMSP01050001 SCHEMBL2559423 Sphingosine 1-phosphate, >=98.0% (TLC) YVE187NJ1U (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate 26993-30-6 AKOS024456554 CHEBI:37550 DUYSYHSSBDVJSM-KRWOKUGFSA-N NCGC00161364-01 Sphing-4-enine-1-phosphate sphingosine-1-phosphate [(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate (2S,3R,4E)-2-Amino-4-octadecene-1,3-diol 1-phosphate 4-Octadecene-1,3-diol, 2-amino-, 1-(dihydrogen phosphate), [R-[R,S-(E)]]- BML3-D06 D-erythro-sphingosine 1-phosphate HSCI1_000397 S1P UNII-YVE187NJ1U (2-amino-3-hydroxy-octadec-4-enoxy)phosphonic acid (E)-D-erythro-2-amino-1-(dihydrogenphosphate)-4-octadecene-1,3-diol C18H38NO5P D07UGA LS-185514 SCHEMBL3886 Sphingosine 1-phosphic acid ZINC8860500 (2S,3R,4E)-2-amino-4-octadecene-1,3-diol 1-(dihydrogen phosphate) 4-Octadecene-1,3-diol, 2-amino-, 1-(dihydrogen phosphate), (2S,3R,4E)- B6707 Epitope ID:161059 NCGC00161364-02 sphingosin-1-phosphat Sphingosine-1-Phosphate (d18:1) (2S,3R,E)-2-Amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate 4-Octadecene-1,3-diol, 2-amino-, 1-(dihydrogen phosphate),(R-(R,S-(E)))- C06124 D-erythro-Sphingosine 1-phosphate, 96% I14-91220 S1P. Sphingosine 1-phosphate, >=95%, powder YP-005 (2S,3R,4E)-1-(dihydrogen phosphate)2-amino-4-Octadecene-1,3-diol 1712AH AC1NR2K4 C1P(d18:1) DTXSID4037166 MolPort-003-850-277 Sphing-4-enine 1-phosphate Sphingosine, D-erythro-1-phosphate [(2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate (2S,3R,4E)-2-Amino-4-octadecene-1,3-diol 1-(Dihydrogen phosphate) 4-Octadecene-1,3-diol, 2-amino-, 1-(dihydrogen phosphate), (R-(R,S-(E)))- BDBM50158348 CHEMBL225155 GTPL911 Phosphoric acid (2S,3R)-2-amino-3-hydroxy-4-octadecenyl ester Sphingosine 1 Phosphate SPN-1-P [ Show all ]
Inchi Key	DUYSYHSSBDVJSM-KRWOKUGFSA-N
Inchi ID	InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
PubChem CID	5283560
ChEMBL	CHEMBL225155
IUPHAR	911
BindingDB	50158348
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	0.158489 - 3.98108 nM	PMID11705398, PMID17114004, PMID11967257	IUPHAR
EC50	0.2 nM	PMID20446681	ChEMBL
EC50	0.2 nM	PMID20446681	BindingDB
EC50	0.449 nM	PMID20188554	BindingDB,ChEMBL
EC50	0.7 nM	PMID20446681	BindingDB
EC50	0.7 nM	PMID20446681	ChEMBL
EC50	1.1 nM	PMID14505636	BindingDB,ChEMBL
EC50	1.2 nM	PMID15341948	BindingDB,ChEMBL
EC50	1.6 nM	PMID17070046	BindingDB,ChEMBL
EC50	2.4 nM	PMID20304639, PMID23245510	BindingDB,ChEMBL
EC50	3.0 nM	PMID19081720	BindingDB,ChEMBL
EC50	3.94 nM	PMID24900589	ChEMBL
EC50	8.7 nM	PMID15982878, PMID14505636	BindingDB,ChEMBL
EC50	8.7 nM	PMID15982878	BindingDB
EC50	79.0 nM	PMID26687487	BindingDB,ChEMBL
Emax	1.0 -	PMID15982878	ChEMBL
IC50	0.04 nM	PMID15149705	ChEMBL
IC50	0.04 nM	PMID15149705	BindingDB
IC50	0.26 nM	PMID15615513	BindingDB,ChEMBL
IC50	0.66 nM	PMID19081720	BindingDB,ChEMBL
IC50	0.92 nM	PMID20304639	ChEMBL
Kd	0.23 - 26.2 nM	PMID10446161, PMID9988698, PMID17170199	IUPHAR

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