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Ligand

NameCHEMBL323990
Molecular formulaC23H30N2O5S2
IUPAC name4-hydroxy-7-[2-[2-[3-[(2S)-1-phenylpropan-2-yl]oxypropylsulfonyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one
Molecular weight478.622
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.1
SynonymsN/A
Inchi KeyCPEZPTWGCSCZRH-KRWDZBQOSA-N
Inchi IDInChI=1S/C23H30N2O5S2/c1-17(16-18-6-3-2-4-7-18)30-13-5-14-32(28,29)15-12-24-11-10-19-8-9-20(26)21-22(19)31-23(27)25-21/h2-4,6-9,17,24,26H,5,10-16H2,1H3,(H,25,27)/t17-/m0/s1
PubChem CID44339137
ChEMBLCHEMBL323990
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
47272Beta-2 adrenergic receptorQ8K4Z4Adrb2Cavia porcellus (Guinea pig)418

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