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	CHEMBL422160
Molecular formula	C31H47IN2O4
IUPAC name	(4-tetradecoxyphenyl)methyl N-acetyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]carbamate;iodide
Molecular weight	638.631
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	None
Synonyms	2-[[Acetyl[[[4-(tetradecyloxy)phenyl]methoxy]carbonyl]amino]methyl]-1-methylpyridinium iodide DEAMSYXHRYOCMF-UHFFFAOYSA-M SCHEMBL9565597
Inchi Key	DEAMSYXHRYOCMF-UHFFFAOYSA-M
Inchi ID	InChI=1S/C31H47N2O4.HI/c1-4-5-6-7-8-9-10-11-12-13-14-17-24-36-30-21-19-28(20-22-30)26-37-31(35)33(27(2)34)25-29-18-15-16-23-32(29)3;/h15-16,18-23H,4-14,17,24-26H2,1-3H3;1H/q+1;/p-1
PubChem CID	10349150
ChEMBL	CHEMBL422160
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available.

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
57620	Platelet-activating factor receptor	P21556	PTAFR	Cavia porcellus (Guinea pig)	342
57621	Platelet-activating factor receptor	Q62035	Ptafr	Mus musculus (Mouse)	341

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