Submission Details
Molecule(s):
BEN-VAN-c4cc60be-1
Duplicate of:
BEN-VAN-ed886787-3
CCNc1ccc(F)c(Cc2cc(Cl)cc(NCC(=O)Nc3cccnc3)c2)n1
Design Rationale:
See the design rationale from https://covid.postera.ai/covid/submissions/ed886787-7a03-461a-8e89-d76e33337a9e
Other Notes:
This is the re-docked pose of the compound following design. Score vs. RMSD plot of docking run available upon request. Docking pose converged. This is an example pose from the compound cluster submitted under https://covid.postera.ai/covid/submissions/ed886787-7a03-461a-8e89-d76e33337a9e