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

NameCHEMBL158147
Molecular formulaC18H25ClN2O3
IUPAC name2-(3-azabicyclo[3.2.2]nonan-3-yl)ethyl 4-amino-5-chloro-2-methoxybenzoate
Molecular weight352.859
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50056402
4-Amino-5-chloro-2-methoxy-benzoic acid 2-(3-aza-bicyclo[3.2.2]non-3-yl)-ethyl ester
Inchi KeyBPGVSOWTLIHZTK-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H25ClN2O3/c1-23-17-9-16(20)15(19)8-14(17)18(22)24-7-6-21-10-12-2-3-13(11-21)5-4-12/h8-9,12-13H,2-7,10-11,20H2,1H3
PubChem CID10498232
ChEMBLCHEMBL158147
IUPHARN/A
BindingDB50056402
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
295465-hydroxytryptamine receptor 4Q62758Htr4Rattus norvegicus (Rat)406
295475-hydroxytryptamine receptor 4O70528HTR4Cavia porcellus (Guinea pig)388

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