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Ligand

NameTriton X-100
Molecular formulaC16H26O2
IUPAC name2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol
Molecular weight250.382
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.6
SynonymsPoletoxol
UNII-X7V411JQHV
Polyethylene glycol 2000 octyl phenyl ether
Polyethylene glycol octylphenol ether
Polyoxyethylene (12) octyl phenyl ether
[ Show all ]
Inchi KeyJYCQQPHGFMYQCF-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3
PubChem CID5590
ChEMBLN/A
IUPHARN/A
BindingDB81480
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
556121Gamma-aminobutyric acid type B receptor subunit 1Q9Z0U4Gabbr1Rattus norvegicus (Rat)991

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