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Ligand

NameMLS000113318
Molecular formulaC16H18N2O3S
IUPAC namebenzyl 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetate
Molecular weight318.391
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.8
Synonymsbenzyl 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetate
SMR000109220
AKOS003271826
HMS3320D22
benzyl [(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]acetate
[ Show all ]
Inchi KeyAHVUGUDRYDPWGA-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H18N2O3S/c1-2-6-13-9-14(19)18-16(17-13)22-11-15(20)21-10-12-7-4-3-5-8-12/h3-5,7-9H,2,6,10-11H2,1H3,(H,17,18,19)
PubChem CID135449278
ChEMBLCHEMBL1342249
IUPHARN/A
BindingDBN/A
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
5922Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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