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Ligand

NameSMR000065253
Molecular formulaC21H20N4O3S
IUPAC name1-[2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrrolidin-2-one
Molecular weight408.476
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.9
SynonymsMLS000098490
AC1M8WDR
MLS002632929
CHEMBL1607966
MolPort-004-117-022
[ Show all ]
Inchi KeyAEWXILWUDOSDTG-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20N4O3S/c1-28-17-10-5-7-15(13-17)20-22-23-21(25(20)16-8-3-2-4-9-16)29-14-19(27)24-12-6-11-18(24)26/h2-5,7-10,13H,6,11-12,14H2,1H3
PubChem CID2546429
ChEMBLCHEMBL1607966
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
3924Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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