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:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	Muscarinic acetylcholine receptor DM1
Species	Drosophila melanogaster (Fruit fly)
Gene	mAChR-A
Synonym	N/A
Disease	N/A for non-human GPCRs
Length	805
Amino acid sequence	MEPVMSLALAAHGPPSILEPLFKTVTTSTTTTTTTTTSTTTTTASPAGYSPGYPGTTLLTALFENLTSTAASGLYDPYSGMYGNQTNGTIGFETKGPRYSLASMVVMGFVAAILSTVTVAGNVMVMISFKIDKQLQTISNYFLFSLAIADFAIGAISMPLFAVTTILGYWPLGPIVCDTWLALDYLASNASVLNLLIISFDRYFSVTRPLTYRAKRTTNRAAVMIGAAWGISLLLWPPWIYSWPYIEGKRTVPKDECYIQFIETNQYITFGTALAAFYFPVTIMCFLYWRIWRETKKRQKDLPNLQAGKKDSSKRSNSSDENTVVNHASGGLLAFAQVGGNDHDTWRRPRSESSPDAESVYMTNMVIDSGYHGMHSRKSSIKSTNTIKKSYTCFGSIKEWCIAWWHSGREDSDDFAYEQEEPSDLGYATPVTIETPLQSSVSRCTSMNVMRDNYSMGGSVSGVRPPSILLSDVSPTPLPRPPLASISQLQEMSAVTASTTANVNTSGNGNGAINNNNNASHNGNGAVNGNGAGNGSGIGLGTTGNATHRDSRTLPVINRINSRSVSQDSVYTILIRLPSDGASSNAANGGGGGPGAGAAASASLSMQGDCAPSIKMIHEDGPTTTAAAAPLASAAATRRPLPSRDSEFSLPLGRRMSHAQHDARLLNAKVIPKQLGKAGGGAAGGGVGGAHALMNARNAAKKKKKSQEKRQESKAAKTLSAILLSFIITWTPYNILVLIKPLTTCSDCIPTELWDFFYALCYINSTINPMCYALCNATFRRTYVRILTCKWHTRNREGMVRGVYN
UniProt	P16395
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2366467
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	3-Quinuclidinyl benzilate
Molecular formula	C21H23NO3
IUPAC name	1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-diphenylacetate
Molecular weight	337.419
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.3
Synonyms	(+/-)-Quinuclidinyl alpha-hydroxydiphenylacetate 1-azabicyclo[2.2.2]oct-8-yl 2-hydroxy-2,2-diphenyl-acetate 6581-06-2 Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 1-azabicyclo(2.2.2)oct-3-yl ester CHEMBL12980 GTPL3260 LS-32530 NSC173698 Substance 78 (+/-)-Quinuclidinyl-(RS)-alpha-hydroxydiphenylacetate 3-(2,2-Diphenyl-2-hydroxyethanoyloxy)-quinuclidine 3-Quinuclidyl benzilate Agent BZ Benzilic acid, 3-quinuclidinyl ester, (+-)- D02VGM Hydroxy-diphenyl-acetic acid 1-aza-bicyclo[2.2.2]oct-3-yl ester(QNB) NSC 173698 R,S-(+/-)-QUINUCLIDINYL BENZILATE ( inverted exclamation markA)-Quinuclidinyl \|A-hydroxydiphenylacetate 1-Azabicyclo(2.2.2)octan-3-ol, benzilate 3-Quinuclidinol benzilate Benzeneacetic acid, .alpha.-hydroxy-.alpha.-phenyl-, 1-azabicyclo(2.2.2)oct-3-yl ester BZ [anticholinergic] EA-2277 L001186 NSC168347 Ro 2-3308 (+/-)-Quinuclidinyl benzilate 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-diphenylacetate 3-quinuclidinyl-benzilate AC1L2LKL benzilic acid 3-quinuclidinylester CS 4030 HGMITUYOCPPQLE-UHFFFAOYSA-N MFCD00055094 QNB [3H]QNB (-)-Benzilic acid 3-quinuclidinyl ester 3-Chinuclidylbenzilate AKOS027321160 Buzz D0N3BT Hydroxy-diphenyl-acetic acid 1-aza-bicyclo[2.2.2]oct-3-yl ester(R)-(-)-(QNB) NSC-168347 R-(-)-3-Quinuclidinyl benzilate (+/-)-QNB 1-Azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate # 3-Quinuclidinol, benzilate (ester) 581Q062 Benzeneacetic acid, 1-azabicyclo[2.2.2]oct-3-yl ester GTPL318 LS-32529 NSC170423 SCHEMBL59698 [3H]quinuclidinylbenzilate (+/-)-Quinuclidinyl benzilate, powder 1-AZABICYCLO[2.2.2]OCTAN-8-YL 2-HYDROXY-2,2-DI(PHENYL)ACETATE 3-quinuclidinylbenzilate AC1Q622B Benzilic acid, 3-quinuclidinyl ester CTK1D7037 Hydroxy-diphenyl-acetic acid 1-aza-bicyclo[2.2.2]oct-3-yl ester NCGC00485298-01 quinuclidin-3-yl 2-hydroxy-2,2-diphenyl-acetate .beta.-Quinuclidinyl benzilate 3-Oxyquinuclidine benzilate 4478-53-9 BDBM50010096 BZ EA 2277 KB-185192 NSC-173698 R-QUINUCLIDINYL BENZILATE ( inverted exclamation markA)-QNB [ Show all ]
Inchi Key	HGMITUYOCPPQLE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2
PubChem CID	23056
ChEMBL	CHEMBL12980
IUPHAR	318
BindingDB	50010096
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	0.5 nM	PMID17319687	ChEMBL

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