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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	3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
Molecular formula	C13H14N2
IUPAC name	3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
Molecular weight	198.269
Hydrogen bond acceptor	1
Hydrogen bond donor	2
XlogP	1.8
Synonyms	AC1Q1GX4 CHEMBL27811 EN300-24706 KS-0000258P SMR000029333 1H-Indole,3-(1,2,3,6-tetrahydro-4-pyridinyl)- 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H-indole 3-(1,2,3,6-tetrahydropyridin-4yl)-1H-indole BB 0218498 CIRSPTXGPFAXRE-UHFFFAOYSA-N FT-0602348 MLS000093715 ST50342174 3-(1,2,3,6-tetrahydro-4-pyridinyl)-1 H-indole 3-(1,2,3,6-tetrahydro-4-pyrinyl)-1h-indole 3-(1,2,3,6-tetrahydropyridin4-yl)-1H-indole 4-([1H]-indol-3-yl)-1,2,3,6-tetrahydro-pyridine A823963 CCG-139909 DB-054803 I10-1367 SBB092334 TR-015569 3-(1,2,3,6-tetrahydro-4-pyridinyl)1-H-indole 3-(1.2,3.6-Tetrahydropyridin-4-yl)-1 H-Indole AJ-13203 ChemDiv2_002931 F9995-2686 MCULE-8034406494 SR-01000607393 2202AE 3-(1,2,3,6-tetrahydro-4-pyridyl)-1-H-indole 3-(1,2,3,6-tetrahydropyridin4-yl)- 1H-indole 347T559 BBL010213 CTK5C2597 FT-0677342 MolPort-000-159-541 STK801496 3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole 3-(1,2,3,6-tetrahydro-pyri-din-4yl)-1h-indole 3-(1,2,3,6-tetrahydropyridine-4-yl)-1H-indole 4-([1H]-indol-3-yl)-1,2,3,6-tetrahydropyridine AC1MC402 DTXSID20375484 KB-86596 SCHEMBL653742 ZINC154399 1H-Indole, 3-(1,2,3,6-tetrahydro-4-pyridinyl)- 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H-indol 3-(1,2,3,6-tetrahydropyridin-4-yl)indole 3-(4-1,2,5,6-tetrahydropyridyl)indole AKOS000505683 cid_2761023 FS-1743 MFCD03695471 SR-01000607393-2 3-(1,2,3,6-tetrahydro-4-pyridinyl )-1H-indole 3-(1,2,3,6-tetrahydro-4-pyridyl)-1H-indole 3-(1,2,3,6-tetrahydropyridin4-yl)-1H -indole 38620-69-8 BDBM31023 D02MVR HMS1377F05 NE12559 THPindole 3-(1,2,3,6-Tetrahydro-4-pyridinyl)-1H-indole, AldrichCPR 3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-1H-indole 3-(1,2,3,6tetrahydropyridin-4-yl)-1H-indole 65347-55-9 [ Show all ]
Inchi Key	CIRSPTXGPFAXRE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2
PubChem CID	2761023
ChEMBL	CHEMBL27811
IUPHAR	N/A
BindingDB	31023
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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