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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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Ligand

NameSCHEMBL6919539
Molecular formulaC26H26N2O5
IUPAC namemethyl 4-[[4-[(4-morpholin-2-ylphenyl)carbamoyl]phenoxy]methyl]benzoate
Molecular weight446.503
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.1
SynonymsBDBM250301
CHEMBL3919815
US9452980, 211
Inchi KeyBWCYBKOHQWMMEA-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H26N2O5/c1-31-26(30)21-4-2-18(3-5-21)17-33-23-12-8-20(9-13-23)25(29)28-22-10-6-19(7-11-22)24-16-27-14-15-32-24/h2-13,24,27H,14-17H2,1H3,(H,28,29)
PubChem CID67240705
ChEMBLCHEMBL3919815
IUPHARN/A
BindingDB250301
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
536877Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332
536878Trace amine-associated receptor 1Q923Y9Taar1Rattus norvegicus (Rat)332

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