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Ligand

NameCHEMBL431636
Molecular formulaC26H30N2O5S2
IUPAC name4-hydroxy-7-[2-[3-[2-(2-naphthalen-1-ylethoxy)ethylsulfonyl]propylamino]ethyl]-3H-1,3-benzothiazol-2-one
Molecular weight514.655
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.9
SynonymsSCHEMBL5397349
L001575
Inchi KeyAAZOUMYVCNRDMB-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H30N2O5S2/c29-23-10-9-21(25-24(23)28-26(30)34-25)11-14-27-13-4-17-35(31,32)18-16-33-15-12-20-7-3-6-19-5-1-2-8-22(19)20/h1-3,5-10,27,29H,4,11-18H2,(H,28,30)
PubChem CID9829025
ChEMBLCHEMBL431636
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
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GLASS IDNameUniProtGeneSpeciesLength
664Beta-2 adrenergic receptorQ8K4Z4Adrb2Cavia porcellus (Guinea pig)418

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