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

You can:

Ligand

NameCHEMBL423746
Molecular formulaC12H16N2O
IUPAC name3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol
Molecular weight204.273
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP0.4
Synonyms3-hydroxy-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octane
BDBM50036174
134345-58-7
L004810
3-Pyridin-3-yl-1-aza-bicyclo[2.2.2]octan-3-ol
[ Show all ]
Inchi KeyAPILBXBLRXLWNS-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H16N2O/c15-12(11-2-1-5-13-8-11)9-14-6-3-10(12)4-7-14/h1-2,5,8,10,15H,3-4,6-7,9H2
PubChem CID15196232
ChEMBLCHEMBL423746
IUPHARN/A
BindingDB50036174
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
11008Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
11009Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466

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