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Ligand

NameAC1LPJ7W
Molecular formulaC18H18N4O4S
IUPAC nameN-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-4-nitrobenzamide
Molecular weight386.426
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP3.6
SynonymsOprea1_289709
MLS000576763
CHEMBL1331898
MolPort-002-237-555
HMS2395N14
[ Show all ]
Inchi KeyAAXDQKMJGTUGIX-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H18N4O4S/c1-11(2)16(23)19-13-4-3-5-14(10-13)20-18(27)21-17(24)12-6-8-15(9-7-12)22(25)26/h3-11H,1-2H3,(H,19,23)(H2,20,21,24,27)
PubChem CID1332907
ChEMBLCHEMBL1331898
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
590Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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