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

NameCHEMBL159891
Molecular formulaC15H20ClN3O3
IUPAC name4-amino-5-chloro-2-methoxy-N-(4-oxa-1-azabicyclo[3.3.1]nonan-6-yl)benzamide
Molecular weight325.793
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP1.0
SynonymsN/A
Inchi KeyDJOWCLQOXZPXAD-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H20ClN3O3/c1-21-13-7-11(17)10(16)6-9(13)15(20)18-12-2-3-19-4-5-22-14(12)8-19/h6-7,12,14H,2-5,8,17H2,1H3,(H,18,20)
PubChem CID15651203
ChEMBLCHEMBL159891
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
616855-hydroxytryptamine receptor 4Q62758Htr4Rattus norvegicus (Rat)406

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