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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	4035-38-5
Molecular formula	C19H15ClN2O
IUPAC name	5-(4-chlorophenyl)-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole
Molecular weight	322.792
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.8
Synonyms	HMS2812L03 SR-01000535256-1 BDBM47506 MLS000768037 VU0345411-2 3-(4-Chloro-phenyl)-5-furan-2-yl-1-phenyl-4,5-dihydro-1H-pyrazole 5N-759 CTK1C9774 SMSF0004797 3-(4-chlorophenyl)-5-(furan-2-yl)-1-phenyl-4,5-dihydro-1H-pyrazole AKOS001024869 KS-000039Z9 ST4067222 1H-Pyrazole, 3-(4-chlorophenyl)-5-(2-furanyl)-4,5-dihydro-1-phenyl- 5-(4-chlorophenyl)-3-(2-furanyl)-2-phenyl-3,4-dihydropyrazole BIM-0014262.P001 CHEMBL1332070 MolPort-000-454-448 Z56797033 3-(4-chlorophenyl)-5-(2-furyl)-1-phenyl-2-pyrazoline A2657/0113285 DTXSID80385423 SR-01000535256 AKOS016245231 CBMicro_014395 MCULE-5226471226 STK739721 2-[3-(4-chlorophenyl)-1-phenyl-2-pyrazolin-5-yl]furan 5-(4-chlorophenyl)-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole cid_2834912 SMR000431350 3-(4-chlorophenyl)-5-(2-furyl)-1-phenyl-4,5-dihydro-1H-pyrazole AC1MDD9A [ Show all ]
Inchi Key	AFDOVMFLHLZNFH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H15ClN2O/c20-15-10-8-14(9-11-15)17-13-18(19-7-4-12-23-19)22(21-17)16-5-2-1-3-6-16/h1-12,18H,13H2
PubChem CID	2834912
ChEMBL	CHEMBL1332070
IUPHAR	N/A
BindingDB	47506
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	<5530.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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