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

NameCHEMBL295148
Molecular formulaC34H50NO5PS
IUPAC name[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] (2,3,5-trimethyl-4-tetradecoxyphenyl) phosphate
Molecular weight615.81
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP11.4
SynonymsBDBM50006056
3-{3-[Hydroxy-(2,3,5-trimethyl-4-tetradecyloxy-phenoxy)-phosphoryloxy]-benzyl}-5-methyl-thiazol-3-ium
Inchi KeyBSAHPTUEYOUIHM-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H50NO5PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-38-34-27(2)22-33(29(4)30(34)5)40-41(36,37)39-32-20-18-19-31(23-32)25-35-24-28(3)42-26-35/h18-20,22-24,26H,6-17,21,25H2,1-5H3
PubChem CID14992423
ChEMBLCHEMBL295148
IUPHARN/A
BindingDB50006056
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
31499Platelet-activating factor receptorP21556PTAFRCavia porcellus (Guinea pig)342

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