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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	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	CHEMBL589403
Molecular formula	C19H22N2
IUPAC name	(2S,4R)-3,3,9-trimethyl-7-[(E)-3-phenylprop-2-enyl]-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
Molecular weight	278.399
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	4.2
Synonyms	BDBM50305383 (3bS,4aR)-3,4,4-Trimethyl-1-[(3-phenyl)-allyl]-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole
Inchi Key	FSOFHLFLALDBIC-VMMSNCAXSA-N
Inchi ID	InChI=1S/C19H22N2/c1-13-17-16(12-15-18(17)19(15,2)3)21(20-13)11-7-10-14-8-5-4-6-9-14/h4-10,15,18H,11-12H2,1-3H3/b10-7+/t15-,18-/m1/s1
PubChem CID	46225233
ChEMBL	CHEMBL589403
IUPHAR	N/A
BindingDB	50305383
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	<10000.0 nM	PMID19954976	BindingDB,ChEMBL
Emax	45.0 %	PMID19954976	ChEMBL

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