ID: | 3j | |
---|---|---|
Name: | 3-[2-(pyrimidin-2-ylsulfanyl)acetyl]benzene-1-sulfonamide | |
Description: | ||
Labels: | ||
CAS: | ||
InChi Code: | InChI=1S/C12H11N3O3S2/c13-20(17,18)10-4-1-3-9(7-10)11(16)8-19-12-14-5-2-6-15-12/h1-7H,8H2,(H2,13,17,18) |
pKd: Binding affinity [log(mol)]
Value | Source or prediction |
---|---|
5.95468 |
experimental value |
5.88706 |
Eq3: CAII inhibition model 1 (Training set) |
5.8924 |
Eq4: CAII inhibition model 2 (Training set) |
6.13913 |
Eq5: CAII inhibition model 3 (Training set) |