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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 1
Species	Rattus norvegicus (Rat)
Gene	S1pr1
Synonym	CD363 S1P1 receptor S1P1 S1P receptor Edg-1 S1P receptor 1 Endothelial differentiation G-protein coupled receptor 1 endothelial differentiation G protein-coupled receptor 1 EDG1 (Edg1) Sphingosine 1-phosphate receptor Edg-1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	383
Amino acid sequence	MVSSTSIPVVKALRSQVSDYGNYDIIVRHYNYTGKLNIGVEKDHGIKLTSVVFILICCLIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNSSRSFLLISACWVISLILGGLPIMGWNCISSLSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKAKTCDILYKAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIISCCKCPNGDSAGKFKRPIIPGMEFSRSKSDNSSHPQKDDGDNPETIMSSGNVNSSS
UniProt	P48303
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1914263
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL1951304
Molecular formula	C25H23N3O4S
IUPAC name	1-[[4-ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]azetidine-3-carboxylic acid
Molecular weight	461.536
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	2.4
Synonyms	MolPort-035-765-754 BDBM50364607 ZINC73277269 1-[[4-Ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thienyl]methyl]-3-azetidinecarboxylic acid CS 2100 913827-99-3 NCGC00379155-01 1-[[4-Ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazole-3-yl]-2-thienyl]methyl]-3-azetidinecarboxylic acid DWVJASHDNJMDNH-UHFFFAOYSA-N AKOS024458213 SCHEMBL3132510 1-({4-Ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thienyl}methyl)azetidine-3-carboxylic acid [ Show all ]
Inchi Key	DWVJASHDNJMDNH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H23N3O4S/c1-2-16-12-21(15-28-13-18(14-28)25(29)30)33-22(16)23-26-24(32-27-23)17-8-10-20(11-9-17)31-19-6-4-3-5-7-19/h3-12,18H,2,13-15H2,1H3,(H,29,30)
PubChem CID	11977938
ChEMBL	CHEMBL1951304
IUPHAR	N/A
BindingDB	50364607
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	1.5 nM	PMID22405291	BindingDB,ChEMBL

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