Submission Details
Molecule(s):
CN(Cc1ccccn1)C(=O)N1CCCCNS(=O)(=O)CC1
CN1C(=O)Cc2cc(NC(=O)N3CCCCNC(=O)C(F)(F)C3)ccc21
O=C(NCCN(CC(F)F)C1CC1)N1CCCCNC(=O)C(F)(F)C1
CC(Cc1ccccc1)(NC(=O)N1CCCCNS(=O)(=O)CC1)C(F)F
CCn1nc(C)c(Cn2nnnc2N2CCCCNC(=O)C(F)(F)C2)c1C
c1cncc(-c2cncc(CN3CCCCCc4ccccc4C3)c2)c1
O=C(Nc1csc(Cl)c1)N1CCCCNS(=O)(=O)CC1
O=C(Nc1cnn(C2COC2)c1)N1CCCCNC(=O)C(F)(F)C1
Design Rationale:
predicted high scoring compounds from our deep learning models training on docking data from multiple sources..