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Ligand

NameSMR000066633
Molecular formulaC16H14N2O4S3
IUPAC nameN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Molecular weight394.478
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.5
SynonymsMLS000055772
AC1M1W0J
MLS000864014
CHEMBL1567815
MolPort-003-199-262
[ Show all ]
Inchi KeyAFXACOWZTDHDGP-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H14N2O4S3/c1-23-16-17-12-4-2-10(8-15(12)24-16)18-25(19,20)11-3-5-13-14(9-11)22-7-6-21-13/h2-5,8-9,18H,6-7H2,1H3
PubChem CID2106213
ChEMBLCHEMBL1567815
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
4584Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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