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

You can:

Ligand

NameCHEMBL421843
Molecular formulaC32H55IN2O6
IUPAC name[5-(6-decoxyhexoxy)oxolan-3-yl]methyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate;iodide
Molecular weight690.704
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogPNone
SynonymsN/A
Inchi KeyASZKTDCAKZHWMI-UHFFFAOYSA-M
Inchi IDInChI=1S/C32H55N2O6.HI/c1-4-6-7-8-9-10-11-16-21-37-22-17-12-13-18-23-38-31-24-29(26-39-31)27-40-32(36)34(28(3)35)25-30-19-14-15-20-33(30)5-2;/h14-15,19-20,29,31H,4-13,16-18,21-27H2,1-3H3;1H/q+1;/p-1
PubChem CID15123185
ChEMBLCHEMBL421843
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13750Platelet-activating factor receptorP21556PTAFRCavia porcellus (Guinea pig)342
13751Platelet-activating factor receptorP25105PTAFRHomo sapiens (Human)342

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