Zhang Lab

University of Michigan

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 ●DMFold ●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	CHEMBL347593
Molecular formula	C30H47IN2O2
IUPAC name	N-[(1-methylpyridin-1-ium-2-yl)methyl]-N-[(2-tetradecoxyphenyl)methyl]acetamide;iodide
Molecular weight	594.622
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	None
Synonyms	2-[[Acetyl[[2-(tetradecyloxy)phenyl]methyl]amino]methyl]-1-methylpyridinium iodide FSVOTEQDIHWZOI-UHFFFAOYSA-M SCHEMBL9306519 2-[[Acetyl[[2- (tetradecyloxy)phenyl]methyl]amino]-methyl]-1-methylpyridinium iodide
Inchi Key	FSVOTEQDIHWZOI-UHFFFAOYSA-M
Inchi ID	InChI=1S/C30H47N2O2.HI/c1-4-5-6-7-8-9-10-11-12-13-14-19-24-34-30-22-16-15-20-28(30)25-32(27(2)33)26-29-21-17-18-23-31(29)3;/h15-18,20-23H,4-14,19,24-26H2,1-3H3;1H/q+1;/p-1
PubChem CID	9985927
ChEMBL	CHEMBL347593
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
86452	Platelet-activating factor receptor	P21556	PTAFR	Cavia porcellus (Guinea pig)	342
86453	Platelet-activating factor receptor	Q62035	Ptafr	Mus musculus (Mouse)	341

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218