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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

Name2-(4-(BENZYLOXY)PHENYL)-N-METHYLETHANAMINE
Molecular formulaC16H19NO
IUPAC nameN-methyl-2-(4-phenylmethoxyphenyl)ethanamine
Molecular weight241.334
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.6
Synonyms38961-21-6
CHEMBL202279
N-methyl-O-benzyl-tyramine
SCHEMBL2157904
DTXSID70469165
[ Show all ]
Inchi KeyBRJKEMHRRBVZST-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H19NO/c1-17-12-11-14-7-9-16(10-8-14)18-13-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3
PubChem CID11594299
ChEMBLCHEMBL202279
IUPHARN/A
BindingDB50181809
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
31047Trace amine-associated receptor 1Q923Y9Taar1Rattus norvegicus (Rat)332
31048Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332

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