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
SynonymsCTK0F4329
2-[3-(dimethylamino)propyl]-1,3-isoindolinedione
N-(dimethylaminopropyl)phthalimide
ZINC26980456
DTXSID30504344
[ 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

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