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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

NameSCHEMBL3616446
Molecular formulaC9H9BrN2O
IUPAC name(4S)-4-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine
Molecular weight241.088
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP1.6
SynonymsCHEMBL3680157
BDBM109392
ZINC83965056
US8604061, 105
Inchi KeyCWSFSFQMKPGYPP-MRVPVSSYSA-N
Inchi IDInChI=1S/C9H9BrN2O/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-4,8H,5H2,(H2,11,12)/t8-/m1/s1
PubChem CID24966115
ChEMBLCHEMBL3680157
IUPHARN/A
BindingDB109392
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
52364Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332
523061Trace amine-associated receptor 1Q923Y9Taar1Rattus norvegicus (Rat)332
523062Trace amine-associated receptor 1Q96RJ0TAAR1Homo sapiens (Human)339

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