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Ligand

NameMLS001236705
Molecular formulaC19H20ClN3O5S2
IUPAC name2-[(7-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Molecular weight469.955
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.2
SynonymsCHEMBL1613586
MolPort-003-154-192
HMS3021E11
ZINC12361076
AKOS024671641
[ Show all ]
Inchi KeyABANWTUZTWWJNG-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H20ClN3O5S2/c1-27-15-6-3-12(9-16(15)28-2)7-8-21-18(24)11-29-19-22-14-5-4-13(20)10-17(14)30(25,26)23-19/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,24)(H,22,23)
PubChem CID18580040
ChEMBLCHEMBL1613586
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
463029Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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