Garcia-Sosa, A. T.; Maran, U. Using combined docking, chemical fingerprints, and Bayesian classifiers for the androgen receptor binding activity of the CoMPARA data. Toxicological Sciences 2020.
Compound
| ID: | 81129-83-1 | |
|---|---|---|
| Name: | Cilastatin sodium | |
| Description: | ||
| Labels: | eval | |
| CAS: | 81129-83-1 | |
| InChi Code: | InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h10-11H,3-9,17H2,1-2H3,(H,20,21)(H,22,23) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.009984574 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |