Zhang Lab

University of Michigan

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

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	CHEMBL593685
Molecular formula	C11H24NO2+
IUPAC name	trimethyl-[[(2R,5R)-5,6,6-trimethyl-1,4-dioxan-2-yl]methyl]azanium
Molecular weight	202.318
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	0.9
Synonyms	BDBM50415224 CHEMBL1198039
Inchi Key	BNQYUZVIPASURO-NXEZZACHSA-N
Inchi ID	InChI=1S/C11H24NO2/c1-9-11(2,3)14-10(8-13-9)7-12(4,5)6/h9-10H,7-8H2,1-6H3/q+1/t9-,10-/m1/s1
PubChem CID	46227483
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50415224
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
28358	Muscarinic acetylcholine receptor M1	P11229	CHRM1	Homo sapiens (Human)	460
28357	Muscarinic acetylcholine receptor M2	P08172	CHRM2	Homo sapiens (Human)	466
28356	Muscarinic acetylcholine receptor M3	P20309	CHRM3	Homo sapiens (Human)	590
28360	Muscarinic acetylcholine receptor M4	P08173	CHRM4	Homo sapiens (Human)	479
28359	Muscarinic acetylcholine receptor M5	P08912	CHRM5	Homo sapiens (Human)	532

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