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GLASS

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GPCR

Name	Sphingosine 1-phosphate receptor 1
Species	Homo sapiens (Human)
Gene	S1PR1
Synonym	Sphingosine 1-phosphate receptor Edg-1 S1P1 receptor S1P1 S1P receptor Edg-1 S1P receptor 1 CD363 EDG1 (Edg1) endothelial differentiation G protein-coupled receptor 1 Endothelial differentiation G-protein coupled receptor 1 [ Show all ]
Disease	Immune disorder Macular degeneration Hepatocellular carcinoma; Multiple scierosis Multiple scierosis Primary progressive multiple sclerosis Cutaneous lupus erythematosus Psoriasis Cardiovascular disorder Cancer Autoimmune diabetes Advanced non-small cell lung cancer Acne vulgaris Rheumatoid arthritis Inflammatory disease [ Show all ]
Length	382
Amino acid sequence	MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS
UniProt	P21453
Protein Data Bank	3v2w
GPCR-HGmod model	P21453
3D structure model	This structure is from PDB ID 3v2w.
BioLiP	BL0214678
Therapeutic Target Database	T13852
ChEMBL	CHEMBL4333
IUPHAR	275
DrugBank	N/A

Ligand

Name	MLS000058692
Molecular formula	C13H7ClN6S2
IUPAC name	4-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylthieno[2,3-d]pyrimidine
Molecular weight	346.811
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	4.2
Synonyms	4-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylthieno[2,3-d]pyrimidine SMR000066808 4-[[1-(4-chlorophenyl)tetrazol-5-yl]thio]thieno[2,3-d]pyrimidine HMS2287A07 1-(4-chlorophenyl)-5-{thieno[2,3-d]pyrimidin-4-ylsulfanyl}-1H-1,2,3,4-tetrazole AKOS034151192 MLS001332829 4-[[1-(4-chlorophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]thieno[2,3-d]pyrimidine CHEMBL1557820 Z31076755 746616-53-5 MCULE-2095805549 BDBM31061 MolPort-004-040-313 4-[[1-(4-chlorophenyl)-5-tetrazolyl]thio]thieno[2,3-d]pyrimidine cid_2112599 ZINC2649462 AC1M28ET [ Show all ]
Inchi Key	FEXPLGPKTJVGOT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H7ClN6S2/c14-8-1-3-9(4-2-8)20-13(17-18-19-20)22-12-10-5-6-21-11(10)15-7-16-12/h1-7H
PubChem CID	2112599
ChEMBL	CHEMBL1557820
IUPHAR	N/A
BindingDB	31061
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	2870.0 nM	N/A	BindingDB
EC50	5292.0 nM	N/A	BindingDB
EC50	6389.0 nM	N/A	BindingDB

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