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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

NameSCHEMBL2696237
Molecular formulaC18H21N5O2
IUPAC name1-[2-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]anilino]pyrimidin-5-yl]propan-1-one
Molecular weight339.399
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP1.9
SynonymsBDBM119186
CHEMBL3656526
US8673950, 53
Inchi KeyASCYYFMENLEJPQ-HNNXBMFYSA-N
Inchi IDInChI=1S/C18H21N5O2/c1-2-16(24)13-9-20-18(21-10-13)23-14-6-3-12(4-7-14)5-8-15-11-25-17(19)22-15/h3-4,6-7,9-10,15H,2,5,8,11H2,1H3,(H2,19,22)(H,20,21,23)/t15-/m0/s1
PubChem CID67502344
ChEMBLCHEMBL3656526
IUPHARN/A
BindingDB119186
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
13010Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332
13011Trace amine-associated receptor 1Q923Y9Taar1Rattus norvegicus (Rat)332

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