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	CHEMBL237313
Molecular formula	C23H28BrN2O2+
IUPAC name	(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) N-[(2-bromophenyl)methyl]-N-phenylcarbamate
Molecular weight	444.393
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	5.1
Synonyms	BDBM50223971 3-[(2-bromo-benzyl)-phenyl-carbamoyloxy]-8,8-dimethyl-8-azonia-bicyclo[3.2.1]octane; bromide
Inchi Key	AIECXAGTKDCJRA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H28BrN2O2/c1-26(2)19-12-13-20(26)15-21(14-19)28-23(27)25(18-9-4-3-5-10-18)16-17-8-6-7-11-22(17)24/h3-11,19-21H,12-16H2,1-2H3/q+1
PubChem CID	44434286
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50223971
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
6131	Muscarinic acetylcholine receptor M1	P11229	CHRM1	Homo sapiens (Human)	460
6132	Muscarinic acetylcholine receptor M2	P08172	CHRM2	Homo sapiens (Human)	466
6130	Muscarinic acetylcholine receptor M3	P20309	CHRM3	Homo sapiens (Human)	590

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