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

You can:

Ligand

NameCHEMBL338345
Molecular formulaC35H60IN3O6
IUPAC name(heptadecylamino) 2-[5-[[acetyl-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamoyl]oxymethyl]oxolan-3-yl]acetate;iodide
Molecular weight745.784
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogPNone
SynonymsN/A
Inchi KeyGBQRVUBESKSNSD-UHFFFAOYSA-M
Inchi IDInChI=1S/C35H60N3O6.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-36-44-34(40)26-31-25-33(42-28-31)29-43-35(41)38(30(3)39)27-32-22-19-21-24-37(32)5-2;/h19,21-22,24,31,33,36H,4-18,20,23,25-29H2,1-3H3;1H/q+1;/p-1
PubChem CID44350399
ChEMBLCHEMBL338345
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
92511Platelet-activating factor receptorP21556PTAFRCavia porcellus (Guinea pig)342
92512Platelet-activating factor receptorP46002PtafrRattus norvegicus (Rat)341

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