Submission Details

Molecule(s):
O=C(NC1CCN(C(=O)CCl)CC1NCc1ccccc1)c1ccccc1

SIM-SYN-7db9eb24-1

O=C(NC1CCN(C(=O)CCl)CC1NCc1ccccc1)c1ccccc1

Cc1cc(CN(C)C(=O)N2CCC(NC(=O)c3ccccc3)CC2)no1

SIM-SYN-7db9eb24-2

Cc1cc(CN(C)C(=O)N2CCC(NC(=O)c3ccccc3)CC2)no1


Design Rationale:

Growing fragment x1351 to try and pick up either interactions with the hydrophobic pocket filled by fragment x0692 or the H bond to His164 that is captured by x0397.

Inspired By:
Discussion: