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	CHEMBL3814356
Molecular formula	C31H36NO11P
IUPAC name	(2S)-2-amino-3-[hydroxy-[[(2R,3R)-3-[3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoyloxy]oxan-2-yl]methoxy]phosphoryl]oxypropanoic acid
Molecular weight	629.599
Hydrogen bond acceptor	12
Hydrogen bond donor	3
XlogP	0.6
Synonyms	BDBM50177136
Inchi Key	YMCSKCJNRCSFCQ-ZGIBFIJWSA-N
Inchi ID	InChI=1S/C31H36NO11P/c32-27(31(34)35)20-40-44(36,37)41-21-29-28(10-5-17-38-29)43-30(33)16-13-22-11-14-24(15-12-22)39-19-23-6-4-9-26(18-23)42-25-7-2-1-3-8-25/h1-4,6-9,11-12,14-15,18,27-29H,5,10,13,16-17,19-21,32H2,(H,34,35)(H,36,37)/t27-,28+,29+/m0/s1
PubChem CID	127050880
ChEMBL	CHEMBL3814356
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. 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
533230	Probable G-protein coupled receptor 34	Q9R1K6	Gpr34	Mus musculus (Mouse)	375
533231	Putative P2Y purinoceptor 10	Q8BFU7	P2ry10	Mus musculus (Mouse)	328

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