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: | 1476-53-5 | |
|---|---|---|
| Name: | Novobiocin sodium | |
| Description: | ||
| Labels: | eval | |
| CAS: | 1476-53-5 | |
| InChi Code: | InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,21,23,25-26,29,34,36H,8H2,1-6H3,(H2,32,39)(H,33,37) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.068206748 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |