Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	phytosphingosine 1-phosphate
Molecular formula	C18H40NO6P
IUPAC name	[(2S,3S,4R)-2-amino-3,4-dihydroxyoctadecyl] dihydrogen phosphate
Molecular weight	397.493
Hydrogen bond acceptor	7
Hydrogen bond donor	5
XlogP	1.3
Synonyms	phytoS1P CTK8F9378 SCHEMBL17522136 D0L8NF LMSP01050003 AKOS030242040 (2S,3S,4R)-2-Amino-1,3,4-octadecanetriol 1-(Dihydrogen Phosphate) d-ribo Phytosphingosine 1-Phosphate ZINC64624517 38597-28-3 FT-0673893 PhS1P CHEBI:46970 phytosphingosine-1-phosphate (2S,3S,4R)-2-amino-3,4-dihydroxyoctadecyl dihydrogen phosphate D-ribo-Phytosphingosine-1-Phosphate [(2S,3S,4R)-2-amino-3,4-dihydroxyoctadecyl] dihydrogen phosphate 4-D-Hydroxysphinganine 1-Phosphate GTPL2922 [ Show all ]
Inchi Key	AYGOSKULTISFCW-KSZLIROESA-N
Inchi ID	InChI=1S/C18H40NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)18(21)16(19)15-25-26(22,23)24/h16-18,20-21H,2-15,19H2,1H3,(H2,22,23,24)/t16-,17+,18-/m0/s1
PubChem CID	10883829
ChEMBL	N/A
IUPHAR	2922
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
553334	Sphingosine 1-phosphate receptor 4	O95977	S1PR4	Homo sapiens (Human)	384

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417