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

NameCHEMBL53804
Molecular formulaC28H30N2O3
IUPAC name(2E)-5,5-bis(2-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide
Molecular weight442.559
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.7
Synonyms5,5-Bis-(2-methoxy-phenyl)-penta-2,4-dienoic acid (4-pyridin-3-yl-butyl)-amide
SCHEMBL9520641
(E)-5,5-bis(2-methoxyphenyl)-N-[4-(3-pyridinyl)butyl]-2,4-pentadienamide
SCHEMBL9520653
BDBM50018359
[ Show all ]
Inchi KeyCPGHLTGASAARCO-GIJQJNRQSA-N
Inchi IDInChI=1S/C28H30N2O3/c1-32-26-16-5-3-13-24(26)23(25-14-4-6-17-27(25)33-2)15-9-18-28(31)30-20-8-7-11-22-12-10-19-29-21-22/h3-6,9-10,12-19,21H,7-8,11,20H2,1-2H3,(H,30,31)/b18-9+
PubChem CID14347369
ChEMBLCHEMBL53804
IUPHARN/A
BindingDB50018359
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
47316Platelet-activating factor receptorP25105PTAFRHomo sapiens (Human)342

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