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: | 50-76-0 | |
|---|---|---|
| Name: | Actinomycin D | |
| Description: | ||
| Labels: | eval | |
| CAS: | 50-76-0 | |
| InChi Code: | InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,40,42-45,48-49,63H,17-20,23-26H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.020596572 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |