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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

NameMLS000058898
Molecular formulaC13H22N2O2S
IUPAC name3-butan-2-yl-5-ethyl-6-hydroxy-2-propylsulfanylpyrimidin-4-one
Molecular weight270.391
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.3
Synonymscid_2842565
SMR000069467
1-butan-2-yl-5-ethyl-6-hydroxy-2-(propylthio)-4-pyrimidinone
BDBM76107
MCULE-7914868370
[ Show all ]
Inchi KeyBKSVBBOOWFNSIG-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H22N2O2S/c1-5-8-18-13-14-11(16)10(7-3)12(17)15(13)9(4)6-2/h9,16H,5-8H2,1-4H3
PubChem CID135458801
ChEMBLCHEMBL1329339
IUPHARN/A
BindingDB76107
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
558074Apelin receptorP35414APLNRHomo sapiens (Human)380
558075Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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