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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 ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameCHEMBL3701984
Molecular formulaC17H20N4O
IUPAC name5-cyclopropyl-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrimidin-2-amine
Molecular weight296.374
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.0
SynonymsBDBM129444
SCHEMBL12609641
US8802673, 86
Inchi KeyLTCPIUJIWPHWDB-INIZCTEOSA-N
Inchi IDInChI=1S/C17H20N4O/c1-2-12(1)14-9-19-17(20-10-14)21-15-5-3-13(4-6-15)16-11-18-7-8-22-16/h3-6,9-10,12,16,18H,1-2,7-8,11H2,(H,19,20,21)/t16-/m0/s1
PubChem CID68325448
ChEMBLCHEMBL3701984
IUPHARN/A
BindingDB129444
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
195801Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332
195800Trace amine-associated receptor 7bQ923X8Taar7bRattus norvegicus (Rat)358

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