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

NameCHEMBL158974
Molecular formulaC33H57IN2O6
IUPAC name[5-(16-methoxyhexadecoxy)oxolan-3-yl]methyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate;iodide
Molecular weight704.731
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogPNone
SynonymsN/A
Inchi KeyAFFJQKZZLXQHSD-UHFFFAOYSA-M
Inchi IDInChI=1S/C33H57N2O6.HI/c1-4-34-22-18-17-21-31(34)26-35(29(2)36)33(37)41-28-30-25-32(40-27-30)39-24-20-16-14-12-10-8-6-5-7-9-11-13-15-19-23-38-3;/h17-18,21-22,30,32H,4-16,19-20,23-28H2,1-3H3;1H/q+1;/p-1
PubChem CID15123183
ChEMBLCHEMBL158974
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
4125Platelet-activating factor receptorP25105PTAFRHomo sapiens (Human)342
4126Platelet-activating factor receptorP21556PTAFRCavia porcellus (Guinea pig)342

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