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Ligand

NameMLS001150042
Molecular formulaC16H12BrNO5S
IUPAC name2-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
Molecular weight410.238
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.7
SynonymsAKOS000977359
HMS2972F21
CHEMBL1576476
SMR000688829
Inchi KeyADSWRUDJGQFZJV-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H12BrNO5S/c1-23-14-7-6-10(8-12(14)17)13(19)9-18-16(20)11-4-2-3-5-15(11)24(18,21)22/h2-8H,9H2,1H3
PubChem CID18171330
ChEMBLCHEMBL1576476
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
463250Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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