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Ligand

NameMLS001070905
Molecular formulaC20H26N4O5S2
IUPAC nameN-[3-(azepan-1-ylsulfonyl)phenyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
Molecular weight466.571
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP2.2
SynonymsCHEMBL1725393
MolPort-005-724-938
HMS3030J12
ZINC12891603
AKOS007971638
[ Show all ]
Inchi KeyACNFUNVQYXCMHW-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H26N4O5S2/c1-15-11-18(23-29-15)22-20(26)14-30-13-19(25)21-16-7-6-8-17(12-16)31(27,28)24-9-4-2-3-5-10-24/h6-8,11-12H,2-5,9-10,13-14H2,1H3,(H,21,25)(H,22,23,26)
PubChem CID24978828
ChEMBLCHEMBL1725393
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
1713Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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