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

NameDimethyl-W84 dibromide
Molecular formulaC34H48Br2N4O4
IUPAC name6-[dimethyl-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propyl]azanium;dibromide
Molecular weight736.59
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogPNone
SynonymsCHEMBL268194
402475-33-6
Inchi KeyJDKHHBPNUMYHFM-UHFFFAOYSA-L
Inchi IDInChI=1S/C34H48N4O4.2BrH/c1-25-13-15-27-29(23-25)33(41)35(31(27)39)17-11-21-37(3,4)19-9-7-8-10-20-38(5,6)22-12-18-36-32(40)28-16-14-26(2)24-30(28)34(36)42;;/h13-16,23-24H,7-12,17-22H2,1-6H3;2*1H/q+2;;/p-2
PubChem CID44265577
ChEMBLCHEMBL268194
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
148247Muscarinic acetylcholine receptor M2P06199CHRM2Sus scrofa (Pig)466

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