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

Name(5-Phenylethynyl-furan-2-yl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
Molecular formulaC22H19N3O2
IUPAC name[5-(2-phenylethynyl)furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
Molecular weight357.413
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.7
SynonymsAKOS000549320
MolPort-001-987-390
CHEMBL1399847
SMR000011775
MLS000077417
[ Show all ]
Inchi KeyADYWJMKZOMPJEZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H19N3O2/c26-22(25-16-14-24(15-17-25)21-8-4-5-13-23-21)20-12-11-19(27-20)10-9-18-6-2-1-3-7-18/h1-8,11-13H,14-17H2
PubChem CID648682
ChEMBLCHEMBL1399847
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3242Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
3243Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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