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

You can:

Ligand

NameCHEMBL168991
Molecular formulaC11H16N2O2
IUPAC name(Z)-N-(4-methoxybut-2-ynoxy)-1-azabicyclo[2.2.1]heptan-3-imine
Molecular weight208.261
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP0.5
SynonymsBDBM50280563
1-Aza-bicyclo[2.2.1]heptan-3-one O-(4-methoxy-but-2-ynyl)-oxime
Inchi KeyANTVCMHSNDCZOH-VAWYXSNFSA-N
Inchi IDInChI=1S/C11H16N2O2/c1-14-6-2-3-7-15-12-11-9-13-5-4-10(11)8-13/h10H,4-9H2,1H3/b12-11+
PubChem CID15681303
ChEMBLCHEMBL168991
IUPHARN/A
BindingDB50280563
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
9899Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
9898Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466

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