Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER D-I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK D-QUARK DRfold DRfold2 LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO ATGO 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 TCRfinder

TM-score TM-align US-align MM-align RNA-align NW-align LS-align TM-search EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA DeepMSA2 rMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP HPmod 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

NameCHEMBL31533
Molecular formulaC19H29N2O3+
IUPAC name3-(1,3-dioxoisoindol-2-yl)propyl-(6-hydroxyhexyl)-dimethylazanium
Molecular weight333.452
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.6
SynonymsN/A
Inchi KeyAANUETUASYUMLM-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H29N2O3/c1-21(2,13-7-3-4-8-15-22)14-9-12-20-18(23)16-10-5-6-11-17(16)19(20)24/h5-6,10-11,22H,3-4,7-9,12-15H2,1-2H3/q+1
PubChem CID44279153
ChEMBLCHEMBL31533
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
363Muscarinic acetylcholine receptor M2P06199CHRM2Sus scrofa (Pig)466

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