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Ligand

NameAC1O2HI3
Molecular formulaC21H26N2O4S2
IUPAC name(5Z)-3-[3-[2-(2-hydroxyethyl)piperidin-1-yl]-3-oxopropyl]-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Molecular weight434.569
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.0
SynonymsMLS001158808
CHEMBL1449052
MolPort-002-655-040
HMS2945C20
STK613466
[ Show all ]
Inchi KeyAHWZLPBTGLQRRB-JXAWBTAJSA-N
Inchi IDInChI=1S/C21H26N2O4S2/c1-27-17-7-5-15(6-8-17)14-18-20(26)23(21(28)29-18)12-9-19(25)22-11-3-2-4-16(22)10-13-24/h5-8,14,16,24H,2-4,9-13H2,1H3/b18-14-
PubChem CID6226225
ChEMBLCHEMBL1449052
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
5950Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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