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

NameCHEMBL598995
Molecular formulaC29H33NO4
IUPAC name3-[2-[[3-methyl-1-(4-methylphenyl)butyl]carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid
Molecular weight459.586
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP6.0
SynonymsBDBM50307412
SCHEMBL2983379
3-[2-({[3-Methyl-1-(4-methylphenyl)butyl]amino}-carbonyl)-4-(phenoxymethyl)phenyl]propanoic acid
Inchi KeyCDBREVYLTWFNCI-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H33NO4/c1-20(2)17-27(24-12-9-21(3)10-13-24)30-29(33)26-18-22(11-14-23(26)15-16-28(31)32)19-34-25-7-5-4-6-8-25/h4-14,18,20,27H,15-17,19H2,1-3H3,(H,30,33)(H,31,32)
PubChem CID23017126
ChEMBLCHEMBL598995
IUPHARN/A
BindingDB50307412
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
39141Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365

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