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	CHEMBL3577178
Molecular formula	C24H40NO9P
IUPAC name	(2S)-2-amino-3-[hydroxy-[3-[3-(2-nonoxyphenyl)propanoyloxy]propoxy]phosphoryl]oxypropanoic acid
Molecular weight	517.556
Hydrogen bond acceptor	10
Hydrogen bond donor	3
XlogP	1.5
Synonyms	BDBM50096362
Inchi Key	OXBAEVIAVYNLMH-NRFANRHFSA-N
Inchi ID	InChI=1S/C24H40NO9P/c1-2-3-4-5-6-7-10-16-31-22-13-9-8-12-20(22)14-15-23(26)32-17-11-18-33-35(29,30)34-19-21(25)24(27)28/h8-9,12-13,21H,2-7,10-11,14-19,25H2,1H3,(H,27,28)(H,29,30)/t21-/m0/s1
PubChem CID	122177524
ChEMBL	CHEMBL3577178
IUPHAR	N/A
BindingDB	50096362
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
494195	Probable G-protein coupled receptor 174	Q9BXC1	GPR174	Homo sapiens (Human)	333
494194	Probable G-protein coupled receptor 34	Q9UPC5	GPR34	Homo sapiens (Human)	381
494196	Putative P2Y purinoceptor 10	O00398	P2RY10	Homo sapiens (Human)	339

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