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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	5-(2,5-dichlorophenyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide
Molecular formula	C19H15Cl2NO2
IUPAC name	5-(2,5-dichlorophenyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide
Molecular weight	360.234
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	5.8
Synonyms	BDBM62407 STL255905 cid_4492589 AC1NBFBJ SR-02000000251 5-(2,5-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-furamide ZINC6860759 5-[2,5-bis(chloranyl)phenyl]-N-(2,6-dimethylphenyl)furan-2-carboxamide MCULE-1402054314 AKOS002709248 SR-02000000251-1 5-(2,5-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-furancarboxamide CHEMBL1397874 Oprea1_028985 [ Show all ]
Inchi Key	DGITVMUSFTWKDH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H15Cl2NO2/c1-11-4-3-5-12(2)18(11)22-19(23)17-9-8-16(24-17)14-10-13(20)6-7-15(14)21/h3-10H,1-2H3,(H,22,23)
PubChem CID	4492589
ChEMBL	CHEMBL1397874
IUPHAR	N/A
BindingDB	62407
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<20000.0 nM	PMID21783362	BindingDB,ChEMBL
IC50	<25000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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