Submission Details

STE-NAN-bafe64f0
Molecule(s):
CN1c2cc(S(N)(=O)=O)ccc2CC[C@@H]1c1ccn(C[C@@H]2CCOC2)n1

STE-NAN-bafe64f0-1

CN1c2cc(S(N)(=O)=O)ccc2CC[C@@H]1c1ccn(C[C@@H]2CCOC2)n1

CN1c2cc(S(=O)(=O)C3=CCC=C3)ccc2CC[C@@H]1c1ncn(C[C@@H]2CCOC2)c1Cc1cnco1

STE-NAN-bafe64f0-2

CN1c2cc(S(=O)(=O)C3=CCC=C3)ccc2CC[C@@H]1c1ncn(C[C@@H]2CCOC2)c1Cc1cnco1

CS(=O)(=O)N(C[C@H]1CCN2c3cc(S(N)(=O)=O)ccc3CC[C@@H]2C1)C1=CCC([C@H](O)N2CCSCC2)=C1NC(=O)CCl

STE-NAN-bafe64f0-3

CS(=O)(=O)N(C[C@H]1CCN2c3cc(S(N)(=O)=O)ccc3CC[C@@H]2C1)C1=CCC([C@H](O)N2CCSCC2)=C1NC(=O)CCl

Design Rationale:

Used Mpro-x0195, x0072, x0786 fragments and virtual reality to modify them and stitch together a molecule

Inspired By:
Discussion:

Contributor: Steve McCloskey, Nanome - Tue, 24 Mar 2020 21:25:42 +0000