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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	SMR000092447
Molecular formula	C14H14N4O2S
IUPAC name	2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
Molecular weight	302.352
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.0
Synonyms	BDBM37466 ZINC341124 2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanamide cid_823260 AC1LGL6Z MCULE-6512285725 2-({5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl}thio)acetamide CCG-117802 SR-01000087359 2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]thio]acetamide EU-0098594 AKOS001688541 MLS000115295 2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide CHEMBL1422599 SR-01000087359-1 HMS2265G07 [ Show all ]
Inchi Key	AZSOMGYAVHMLCV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H14N4O2S/c1-8-10(9-4-2-3-5-11(9)16-8)6-13-17-18-14(20-13)21-7-12(15)19/h2-5,16H,6-7H2,1H3,(H2,15,19)
PubChem CID	823260
ChEMBL	N/A
IUPHAR	N/A
BindingDB	37466
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<49800.0 nM	N/A	BindingDB

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