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

NameCHEMBL565797
Molecular formulaC28H22N2O3S2
IUPAC name(E)-3-[1-[(2-phenylphenyl)methyl]indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide
Molecular weight498.615
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.1
SynonymsBDBM50303687
Thiophene-2-sulfonic Acid[(E)-3-(1-Biphenyl-2-ylmethyl-1Hindol-7-yl)acryloyl]amide
Inchi KeyBCXVIGXTTLNQNH-FOCLMDBBSA-N
Inchi IDInChI=1S/C28H22N2O3S2/c31-26(29-35(32,33)27-14-7-19-34-27)16-15-22-11-6-12-23-17-18-30(28(22)23)20-24-10-4-5-13-25(24)21-8-2-1-3-9-21/h1-19H,20H2,(H,29,31)/b16-15+
PubChem CID44626978
ChEMBLCHEMBL565797
IUPHARN/A
BindingDB50303687
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
20679Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390

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