Submission Details
Molecule(s):
CC[N]c1cccc(Cc2cccc([N]CC(=O)Nc3cccnc3)c2)n1
JOH-UNK-14e6adc5-2
Duplicate of:
ANN-UNI-26382800-3
N#Cc1ccc(NC(=O)Nc2cccnc2)cc1
[NH]c1ccc(F)c(Cc2cccc([N]CC(=O)Nc3cccnc3)c2)n1
JOH-UNK-14e6adc5-5
Duplicate of:
BEN-VAN-ed886787-1
CCNc1ccc(F)c(Cc2cccc(NCC(=O)Nc3cccnc3)c2)n1
C[C@H](O)N1CCN(Cc2cc(C#N)cnc2[NH])CC1
COc1ccc(-n2cc(CN3CCN(C(C)=O)CC3)nn2)cc1
COc1cccc(-n2cc(CN3CCN(C(C)=O)CC3)nn2)c1
Design Rationale:
The compounds were designed by conjugation of different fragments. The corresponding compounds were docked. The docking poses in pdb format are attached.