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

NameCHEMBL290612
Molecular formulaC25H30N2O3
IUPAC name6-(6-piperidin-1-ylhexoxy)-2-pyridin-4-ylchromen-4-one
Molecular weight406.526
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.4
Synonyms6-(6-Piperidin-1-yl-hexyloxy)-2-pyridin-4-yl-chromen-4-one
2-(4-Pyridinyl)-6-[6-(1-piperidinyl)hexyloxy]-4H-1-benzopyran-4-one
BDBM50000620
SCHEMBL8787141
Inchi KeyADPUUXSSYIILOK-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30N2O3/c28-23-19-25(20-10-12-26-13-11-20)30-24-9-8-21(18-22(23)24)29-17-7-2-1-4-14-27-15-5-3-6-16-27/h8-13,18-19H,1-7,14-17H2
PubChem CID14983050
ChEMBLCHEMBL290612
IUPHARN/A
BindingDB50000620
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
2947D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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