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Ligand

NameAC1NJE6B
Molecular formulaC20H23N3O5S
IUPAC name2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Molecular weight417.48
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP0.5
SynonymsCHEMBL1898098
2-{2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl}-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione
MLS002248789
AKOS033863707
Z23144489
[ Show all ]
Inchi KeyACVHQFKURRSPHB-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H23N3O5S/c24-18(14-23-19(25)16-8-4-5-9-17(16)20(23)26)21-10-12-22(13-11-21)29(27,28)15-6-2-1-3-7-15/h1-7,16-17H,8-14H2
PubChem CID4845766
ChEMBLCHEMBL1898098
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
463179Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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