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	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	quinuclidin-3-yl 2-hydroxy-2,2-diphenyl-acetate [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 R-QUINUCLIDINYL BENZILATE ( inverted exclamation markA)-QNB .beta.-Quinuclidinyl benzilate 3-Oxyquinuclidine benzilate 4478-53-9 BDBM50010096 BZ EA 2277 KB-185192 NSC-173698 NSC173698 Substance 78 (+/-)-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 R,S-(+/-)-QUINUCLIDINYL BENZILATE (+/-)-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 Ro 2-3308 ( 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 QNB [3H]QNB (+/-)-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 R-(-)-3-Quinuclidinyl benzilate (-)-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 SCHEMBL59698 (+/-)-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 [ 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.

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
114238	Muscarinic acetylcholine receptor DM1	P16395	mAChR-A	Drosophila melanogaster (Fruit fly)	805
114241	Muscarinic acetylcholine receptor M1	P11229	CHRM1	Homo sapiens (Human)	460
114237	Muscarinic acetylcholine receptor M2	P10980	Chrm2	Rattus norvegicus (Rat)	466
114240	Muscarinic acetylcholine receptor M2	P08172	CHRM2	Homo sapiens (Human)	466
553828	Muscarinic acetylcholine receptor M3	P20309	CHRM3	Homo sapiens (Human)	590
553829	Muscarinic acetylcholine receptor M4	P08173	CHRM4	Homo sapiens (Human)	479

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