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Ligand

NameCHEMBL108813
Molecular formulaC25H34N2O4S
IUPAC name4-hydroxy-7-[2-[[6-[2-(4-hydroxyphenyl)ethoxy]-2,2-dimethylhexyl]amino]ethyl]-3H-1,3-benzothiazol-2-one
Molecular weight458.617
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP4.9
SynonymsSCHEMBL7828227
Inchi KeyAKZUEPTUVPGFKM-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H34N2O4S/c1-25(2,13-3-4-15-31-16-12-18-5-8-20(28)9-6-18)17-26-14-11-19-7-10-21(29)22-23(19)32-24(30)27-22/h5-10,26,28-29H,3-4,11-17H2,1-2H3,(H,27,30)
PubChem CID44338880
ChEMBLCHEMBL108813
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
8062Beta-2 adrenergic receptorQ8K4Z4Adrb2Cavia porcellus (Guinea pig)418

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