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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	6-Methoxy-1-phenyl-1H-benzimidazole
Molecular formula	C14H12N2O
IUPAC name	6-methoxy-1-phenylbenzimidazole
Molecular weight	224.263
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.1
Synonyms	1-Phenylbenzimidazole deriv. 76 BDBM3859 MolPort-000-279-681 CHEMBL356169 ZINC361259 AC1LCMN8 HMS2383F20 BIM-0030561.P001 SCHEMBL3063006 6-Methoxy-1-phenyl-1H-benzoimidazole cid_652633 1-phenyl-6-methoxybenzimid-azole AKOS002783908 MLS000077152 6-methoxy-1-phenyl-1H-1,3-benzodiazole CBMicro_030429 SMR000001075 6-methoxy-1-phenylbenzimidazole DBDPQMUWFPDEFP-UHFFFAOYSA-N [ Show all ]
Inchi Key	DBDPQMUWFPDEFP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H12N2O/c1-17-12-7-8-13-14(9-12)16(10-15-13)11-5-3-2-4-6-11/h2-10H,1H3
PubChem CID	652633
ChEMBL	N/A
IUPHAR	N/A
BindingDB	3859
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	<95100.0 nM	N/A	BindingDB
EC50	16120.0 nM	N/A	BindingDB
EC50	23650.0 nM	N/A	BindingDB

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