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

NameCHEMBL304129
Molecular formulaC36H56Br2N4O4
IUPAC name3-(1-ethoxy-3-oxo-1H-isoindol-2-yl)propyl-[6-[3-(1-ethoxy-3-oxo-1H-isoindol-2-yl)propyl-dimethylazaniumyl]hexyl]-dimethylazanium;dibromide
Molecular weight768.676
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogPNone
SynonymsN/A
Inchi KeyFMNVAFYFQWBZCN-UHFFFAOYSA-L
Inchi IDInChI=1S/C36H56N4O4.2BrH/c1-7-43-35-31-21-13-11-19-29(31)33(41)37(35)23-17-27-39(3,4)25-15-9-10-16-26-40(5,6)28-18-24-38-34(42)30-20-12-14-22-32(30)36(38)44-8-2;;/h11-14,19-22,35-36H,7-10,15-18,23-28H2,1-6H3;2*1H/q+2;;/p-2
PubChem CID10747746
ChEMBLCHEMBL304129
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
82081Muscarinic acetylcholine receptor M2P06199CHRM2Sus scrofa (Pig)466

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