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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	SMR000102159
Molecular formula	C19H23FN2O2
IUPAC name	1-[(2,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)piperazine
Molecular weight	330.403
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.4
Synonyms	1-[(2,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)piperazine cid_2173523 SR-01000201868 AC1M2L9M MLS000105278 REGID_for_CID_2173523 HMS2427D19 SR-01000201868-1 BDBM31037 MolPort-002-083-957 1-(2,4-dimethoxybenzyl)-4-(2-fluorophenyl)piperazine CHEMBL1606397 AB00077529-01 MCULE-7819278371 ZINC2811204 Cambridge id 5262294 Oprea1_566622 [ Show all ]
Inchi Key	FTXHIWXQEQZCKC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H23FN2O2/c1-23-16-8-7-15(19(13-16)24-2)14-21-9-11-22(12-10-21)18-6-4-3-5-17(18)20/h3-8,13H,9-12,14H2,1-2H3
PubChem CID	2173523
ChEMBL	CHEMBL1606397
IUPHAR	N/A
BindingDB	31037
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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