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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	TCMDC-124447
Molecular formula	C15H18N2
IUPAC name	3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
Molecular weight	226.323
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	2.6
Synonyms	AC1L1BJS ChemDiv3_011215 MolPort-009-263-241 AUPFODUFUNPAOB-UHFFFAOYSA-N HMS1504N17 SR-01000106154 MCULE-8522773337 ZINC1856132 AC1Q1IP7 cid_51703 SCHEMBL11321052 3-(1-ethyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole BDBM31021 HMS2174J04 SR-01000106154-1 72808-70-9 CHEMBL587229 MLS000093713 AKOS004911391 GNF-Pf-2468 SMR000029331 3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole BRD-K76700848-001-01-3 IDI1_028773 [ Show all ]
Inchi Key	AUPFODUFUNPAOB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H18N2/c1-2-17-9-7-12(8-10-17)14-11-16-15-6-4-3-5-13(14)15/h3-7,11,16H,2,8-10H2,1H3
PubChem CID	51703
ChEMBL	CHEMBL587229
IUPHAR	N/A
BindingDB	31021
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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