Submission Details

PED-UNI-a9f4e7c0
Molecule(s):
[CH2]C(=O)N1CCN(S(=O)(=O)C2=CC([C@H]3CN(C(=O)NCc4ccc(C#N)cc4)CCO3)C(Cl)=C[CH]2)CC1

PED-UNI-a9f4e7c0-1

[CH2]C(=O)N1CCN(S(=O)(=O)C2=CC([C@H]3CN(C(=O)NCc4ccc(C#N)cc4)CCO3)C(Cl)=C[CH]2)CC1

Design Rationale:

Built from X_1249 and X_1308 ,by eye. A quick energy minimization suggests it should maintain most of the interactions observed in the separate fragments

Inspired By:
Discussion:

Contributor: Pedro Silva, Univ. Fernando Pessoa - Mon, 23 Mar 2020 16:22:00 +0000