Name: ATPase-IN-2
Rating: 5 (10 reviews)

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HIT ID:HIT105741814
Cas No:85573-18-8
常用名:ATPase-IN-2
IUPAC:4-{1-[(4-hydroxy-3-methoxyphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-2-methoxyphenol
IUPAC:4-{1-[(4-hydroxy-3-methoxyphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-2-methoxyphenol
InChI key:SBVOOAOEAYENPN-UHFFFAOYSA-N

分子式:C22H20N2O4
分子量:376.412
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:3.73
SMILES:COc1cc(Cn2c(nc3ccccc23)-c2ccc(O)c(OC)c2)ccc1O
SMILES:COc1cc(Cn2c(nc3ccccc23)-c2ccc(O)c(OC)c2)ccc1O

ATPase-IN-2 is a compound that acts as an inhibitor of ATPase, with an IC50 value of 0.9 μM. It also inhibits the glycohydrolase activity of C. difficile toxin B (TcdB) with an AC50 value of 30.91 μM. ATPase-IN-2 is commonly utilized in ATP-related research [1].

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