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

NameCHEMBL67700
Molecular formulaC15H19NO2
IUPAC name(2-benzyl-2-azabicyclo[2.2.1]heptan-5-yl) acetate
Molecular weight245.322
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP2.3
SynonymsAcetic acid 2-benzyl-2-aza-bicyclo[2.2.1]hept-5-yl ester
BDBM50006546
Inchi KeyCEYKSYHOKKXLMF-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H19NO2/c1-11(17)18-15-8-14-7-13(15)10-16(14)9-12-5-3-2-4-6-12/h2-6,13-15H,7-10H2,1H3
PubChem CID44309790
ChEMBLCHEMBL67700
IUPHARN/A
BindingDB50006546
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
40398Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
40397Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589

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