Zhang Lab

National University of Singapore

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

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	RS-86
Molecular formula	C11H19BrN2O2
IUPAC name	2-ethyl-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;hydrobromide
Molecular weight	291.189
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	None
Synonyms	2-ethyl-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione hydrobromide(1:1) C11H18N2O2.HBr 19105-63-6 3-ethyl-8-methyl-3,8-diazaspiro[4.5]decane-2,4-dione hydrobromide CTK8D5439 UNII-5ASV6M91QU 2-Ethyl-8-methyl-2,8-diazaspiro(4,5)decane-1,3-dione hydrobromide AC1L3EP8 RS 86 2-Nitrophenyl ?-D-galactopyranoside RS-86 hydrobromide 2,8-Diazaspiro(4,5)decane-1,3-dione, 2-ethyl-8-methyl-, hydrobromide 5ASV6M91QU D05HKB 2-ethyl-8-methyl-2,8-diazaspiro[4,5]decane-1,3-dione hydrobromide AC1Q23N4 RS 86, hydrobromide 2-Nitrophenyl \|A-D-galactopyranoside CHEMBL542883 TR-031003 2,8-Diazaspiro(4.5)decane-1,3-dione, 2-ethyl-8-methyl-, hydrobromide (1:1) 7524-74-5 LS-59967 [ Show all ]
Inchi Key	RKVCNLSYEWDGNX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H18N2O2.BrH/c1-3-13-9(14)8-11(10(13)15)4-6-12(2)7-5-11;/h3-8H2,1-2H3;1H
PubChem CID	87933
ChEMBL	CHEMBL542883
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
298625	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460
298626	Muscarinic acetylcholine receptor M2	Q9ERZ4	Chrm2	Mus musculus (Mouse)	466
298627	Muscarinic acetylcholine receptor M2	P10980	Chrm2	Rattus norvegicus (Rat)	466

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