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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	SR-02000000242
Molecular formula	C19H15Cl2NO2
IUPAC name	5-(2,5-dichlorophenyl)-N-(2,5-dimethylphenyl)furan-2-carboxamide
Molecular weight	360.234
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	5.8
Synonyms	5-[2,5-bis(chloranyl)phenyl]-N-(2,5-dimethylphenyl)furan-2-carboxamide cid_1114196 AKOS000548122 Oprea1_396142 5-(2,5-dichlorophenyl)-N-(2,5-dimethylphenyl)-2-furancarboxamide ZINC848990 MolPort-000-226-934 BAS 01064652 5-(2,5-Dichloro-phenyl)-furan-2-carboxylic acid (2,5-dimethyl-phenyl)-amide 5-(2,5-dichlorophenyl)-N-(2,5-dimethylphenyl)furan-2-carboxamide CHEMBL1473443 AC1LLQ4X Oprea1_143483 BDBM62398 SR-02000000242-1 5-(2,5-dichlorophenyl)-N-(2,5-dimethylphenyl)-2-furamide [ Show all ]
Inchi Key	ADEIWISNTUOOEM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H15Cl2NO2/c1-11-3-4-12(2)16(9-11)22-19(23)18-8-7-17(24-18)14-10-13(20)5-6-15(14)21/h3-10H,1-2H3,(H,22,23)
PubChem CID	1114196
ChEMBL	CHEMBL1473443
IUPHAR	N/A
BindingDB	62398
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	<25000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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