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

NameCHEMBL300471
Molecular formulaC26H30N2O5
IUPAC nameN-benzyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide
Molecular weight450.535
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.2
Synonyms115656-21-8
2-[4-[2-[(2-Hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]-N-benzylacetamide
Inchi KeyJVERRHQZUJMNTA-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H30N2O5/c29-22(19-32-23-9-5-2-6-10-23)18-27-15-16-31-24-11-13-25(14-12-24)33-20-26(30)28-17-21-7-3-1-4-8-21/h1-14,22,27,29H,15-20H2,(H,28,30)
PubChem CID15174940
ChEMBLCHEMBL300471
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
160788Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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