Zhang Lab

National University of Singapore

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

GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	W-84 dibromide
Molecular formula	C32H44Br2N4O4
IUPAC name	3-(1,3-dioxoisoindol-2-yl)propyl-[6-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]hexyl]-dimethylazanium;dibromide
Molecular weight	708.536
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	None
Synonyms	3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl-[6-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl-dimethyl-azaniumyl]hexyl]-dimethyl-azanium dibromide CHEMBL266295 n,n'-bis[3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propyl]-n,n,n',n'-tetramethylhexane-1,6-diaminium dibromide AC1Q1R6J Hexamethylene-bis-[dimethyl-(3-phthalimidopropyl)ammonium] dibromide SR-01000597956 3-(1,3-dioxo-2-isoindolyl)propyl-[6-[3-(1,3-dioxo-2-isoindolyl)propyl-dimethylammonio]hexyl]-dimethylammonium dibromide C-23460 J-013837 A815135 DB-045480 N1,N6-bis(3-(1,3-dioxoisoindolin-2-yl)propyl)-N1,N1,N6,N6-tetramethylhexane-1,6-diaminium bromide 1,6-Hexanediaminium, N,N'-bis(3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)propyl)-N,N,N',N'-tetramethyl-, dibromide AKOS024458552 Hexamethylene-bis-[dimethyl-(3-phthalimidopropyl)ammonium]dibromide SR-01000597956-1 3-(1,3-dioxoisoindol-2-yl)propyl-[6-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]hexyl]-dimethylazanium dibromide MolPort-003-959-934 W-84 dibromide, >=98% (HPLC), solid AC1L50XH FT-0638093 SCHEMBL3989856 21093-51-6 B6338 Hexamethylenebis(dimethyl-(3-phthalimidopropyl)ammonium bromide) W 84 [ Show all ]
Inchi Key	DZRJZDQAGMZGGA-UHFFFAOYSA-L
Inchi ID	InChI=1S/C32H44N4O4.2BrH/c1-35(2,23-13-19-33-29(37)25-15-7-8-16-26(25)30(33)38)21-11-5-6-12-22-36(3,4)24-14-20-34-31(39)27-17-9-10-18-28(27)32(34)40;;/h7-10,15-18H,5-6,11-14,19-24H2,1-4H3;2*1H/q+2;;/p-2
PubChem CID	167961
ChEMBL	CHEMBL266295
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
72959	Muscarinic acetylcholine receptor M2	P06199	CHRM2	Sus scrofa (Pig)	466
444592	Muscarinic acetylcholine receptor M2	P08172	CHRM2	Homo sapiens (Human)	466
444593	Muscarinic acetylcholine receptor M5	P08912	CHRM5	Homo sapiens (Human)	532

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