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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	Mus musculus (Mouse)
Gene	S1pr1
Synonym	S1P1 receptor S1P1 S1P receptor Edg-1 S1P receptor 1 Lysophospholipid receptor B1 Endothelial differentiation G-protein coupled receptor 1 endothelial differentiation G protein-coupled receptor 1 EDG1 (Edg1) CD363 Sphingosine 1-phosphate receptor Edg-1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	382
Amino acid sequence	MVSTSIPEVKALRSSVSDYGNYDIIVRHYNYTGKLNIGAEKDHGIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNSSRSFLLISACWVISLILGGLPIMGWNCISSLSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKAKTCDILYKAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIVSCCKCPNGDSAGKFKRPIIPGMEFSRSKSDNSSHPQKDDGDNPETIMSSGNVNSSS
UniProt	O08530
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1914262
IUPHAR	275
DrugBank	N/A

Ligand

Name	CHEMBL3359523
Molecular formula	C24H23ClF3NO4
IUPAC name	2-[(3R)-4-chloro-6-[[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid
Molecular weight	481.896
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	5.4
Synonyms	RLGFHVZCVPTTLP-OAHLLOKOSA-N (R)-2-(9-chloro-7-(4-isopropoxy-3-(trifluoromethyl)benzyloxy)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetic acid SCHEMBL2018583 BDBM50041983
Inchi Key	RLGFHVZCVPTTLP-OAHLLOKOSA-N
Inchi ID	InChI=1S/C24H23ClF3NO4/c1-13(2)33-20-6-3-14(9-18(20)24(26,27)28)12-32-16-4-5-19-17(11-16)22(25)23-15(10-21(30)31)7-8-29(19)23/h3-6,9,11,13,15H,7-8,10,12H2,1-2H3,(H,30,31)/t15-/m1/s1
PubChem CID	53362086
ChEMBL	CHEMBL3359523
IUPHAR	N/A
BindingDB	50041983
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
EC50	0.064 nM	PMID25516794	BindingDB
EC50	0.064 nM	PMID25516794	ChEMBL
Emax	95.0 %	PMID25516794	ChEMBL

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