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Ligand

NameAC1NSHH2
Molecular formulaC21H16BrN3O4
IUPAC name[2-methoxy-4-[(E)-(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
Molecular weight454.28
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.2
SynonymsMLS001125552
[2-methoxy-4-[(E)-(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
MolPort-002-153-765
CHEMBL3197146
SMR000658903
Inchi KeyAFMRDUMBDFHQQE-ZMOGYAJESA-N
Inchi IDInChI=1S/C21H16BrN3O4/c1-28-19-12-14(13-24-25-20(26)17-4-2-3-11-23-17)5-10-18(19)29-21(27)15-6-8-16(22)9-7-15/h2-13H,1H3,(H,25,26)/b24-13+
PubChem CID5334211
ChEMBLCHEMBL3197146
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
463412Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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