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Ligand

NameAC1NJ8X2
Molecular formulaC15H12ClN3O7S
IUPAC name[2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate
Molecular weight413.785
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP1.6
SynonymsMLS002166619
CHEMBL1720661
MolPort-005-317-291
HMS3069N03
ZINC9120345
[ Show all ]
Inchi KeyAEKCIJZRWZGMQH-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H12ClN3O7S/c1-27(24,25)12-5-4-9(7-11(12)19(22)23)15(21)26-8-13(20)18-10-3-2-6-17-14(10)16/h2-7H,8H2,1H3,(H,18,20)
PubChem CID4843439
ChEMBLCHEMBL1720661
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
463321Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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