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

Name13474-65-2
Molecular formulaC13H16N2O2
IUPAC name2-[3-(dimethylamino)propyl]isoindole-1,3-dione
Molecular weight232.283
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP1.9
SynonymsAKOS022231485
SCHEMBL1569149
CTK0F4329
2-[3-(dimethylamino)propyl]-1,3-isoindolinedione
N-(dimethylaminopropyl)phthalimide
[ Show all ]
Inchi KeyDYZHJGYWAJRDAJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H16N2O2/c1-14(2)8-5-9-15-12(16)10-6-3-4-7-11(10)13(15)17/h3-4,6-7H,5,8-9H2,1-2H3
PubChem CID12612168
ChEMBLCHEMBL324165
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
72433Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
72434Muscarinic acetylcholine receptor M2P06199CHRM2Sus scrofa (Pig)466

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