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 ●DMFold ●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

NameCHEMBL2058673
Molecular formulaC23H30N4O
IUPAC name6-[3-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]propylamino]-2,3-dihydroinden-1-one
Molecular weight378.52
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50387912
Inchi KeyDLUDWFPLMUWISJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H30N4O/c1-2-17-15-25-23(26-16-17)27-12-9-18(10-13-27)4-3-11-24-20-7-5-19-6-8-22(28)21(19)14-20/h5,7,14-16,18,24H,2-4,6,8-13H2,1H3
PubChem CID62706030
ChEMBLCHEMBL2058673
IUPHARN/A
BindingDB50387912
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
63341Glucose-dependent insulinotropic receptorQ8TDV5GPR119Homo sapiens (Human)335
63342Glucose-dependent insulinotropic receptorQ7TQP3Gpr119Mus musculus (Mouse)335

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218