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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	GW9508
Molecular formula	C22H21NO3
IUPAC name	3-[4-[(3-phenoxyphenyl)methylamino]phenyl]propanoic acid
Molecular weight	347.414
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.7
Synonyms	LP00551 Q-4542 SR-01000780921-3 3-(4-((3-Phenoxybenzyl)amino)phenyl)propanoic acid 885101-89-3 AX8208187 CCG-221855 EX-A223 HMS3261P03 MolPort-009-019-206 s8014 UNII-4T77GYP2CS 3-[4-(3-Phenoxybenzylamino)phenyl]propanoic acid AK-41711 Benzenepropanoic acid, 4-(((3-phenoxyphenyl)methyl)amino)- CHEMBL207881 GW 9508 HMS3650I20 KB-148639 NCGC00167811-13 SMR000486399 4CA-0616 ANW-59227 BRD-K71534238-001-03-5 D08ZYC GW9508, >=98% (HPLC) MLS001065626 QCR-210 SW219168-1 3-(4-(3-phenoxybenzylamino)phenyl)propanoic acid AB0035924 BCP06803 CHEBI:93259 FT-0762512 HMS3269J09 NCGC00167811-01 SC-93652 Y0374 4-(3-Phenoxybenzylamino)phenylpropionic acid AKOS016002280 Benzenepropanoic acid, 4-[[(3-phenoxyphenyl)methyl]amino]- CS-1286 GW-9508 HMS3653H19 KS-000008VB NCGC00261236-01 SR-01000780921 4T77GYP2CS AOB6172 carboxylic acid agonist, 2 DTXSID70237088 HMS2197G09 MLS006010293 RT-013143 Tox21_500551 3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propanoic acid AJ-64456 BDBM22496 GTPL1050 HMS3355B18 HY-15589 NCGC00167811-03 SCHEMBL364468 ZINC13831241 4-[[(3-Phenoxyphenyl)methyl]amino]benzenepropanoic acid AM81256 BN0806 CTK8B8037 [ Show all ]
Inchi Key	DGENZVKCTGIDRZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)
PubChem CID	11595431
ChEMBL	CHEMBL207881
IUPHAR	1050
BindingDB	22496
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	>31622.8 nM	PMID17240142	ChEMBL

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