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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	6-methoxy-1-phenylbenzimidazole DBDPQMUWFPDEFP-UHFFFAOYSA-N 1-Phenylbenzimidazole deriv. 76 BDBM3859 MolPort-000-279-681 ZINC361259 CHEMBL356169 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 [ 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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