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

NameCHEMBL603701
Molecular formulaC23H22N2O5
IUPAC name5,7-dihydroxy-4-methyl-3-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]chromen-2-one
Molecular weight406.438
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.8
SynonymsBDBM50307024
3-(4-cinnamoylpiperazin-1-yl)-5,7-dihydroxy-4-methyl-2H-chromen-2-one
Inchi KeyAHWLKLHCHKGPAS-BQYQJAHWSA-N
Inchi IDInChI=1S/C23H22N2O5/c1-15-21-18(27)13-17(26)14-19(21)30-23(29)22(15)25-11-9-24(10-12-25)20(28)8-7-16-5-3-2-4-6-16/h2-8,13-14,26-27H,9-12H2,1H3/b8-7+
PubChem CID45104422
ChEMBLCHEMBL603701
IUPHARN/A
BindingDB50307024
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5938C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360

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