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Ligand

NameMLS003178907
Molecular formulaC29H31ClN2O5S
IUPAC name(3aS,5aR,6R,8aR,8bR)-6-(4-chlorophenyl)-2-cyclohexyl-7-(2-methylphenyl)sulfonyl-4,5a,6,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-e]isoindole-1,3,5-trione
Molecular weight555.086
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.9
SynonymsSMR001882702
CHEMBL1866960
Inchi KeyAAFFNDJZZCYJIG-PBSZENBHSA-N
Inchi IDInChI=1S/C29H31ClN2O5S/c1-17-7-5-6-10-24(17)38(36,37)31-16-22-25-21(28(34)32(29(25)35)20-8-3-2-4-9-20)15-23(33)26(22)27(31)18-11-13-19(30)14-12-18/h5-7,10-14,20-22,25-27H,2-4,8-9,15-16H2,1H3/t21-,22-,25-,26-,27-/m0/s1
PubChem CID51359242
ChEMBLCHEMBL1866960
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
162Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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