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: | 150915-40-5 | |
|---|---|---|
| Name: | Tirofiban hydrochloride monohydrate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 150915-40-5 | |
| InChi Code: | InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.112626864 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |