Submission Details

Molecule(s):
COc1ccc2[nH]cc(CCNS(C)(=O)=O)c2c1

MAR-UNI-9ca61fdc-1

COc1ccc2[nH]cc(CCNS(C)(=O)=O)c2c1


Design Rationale:

Serotonin based idea from fragment merge of X_0104, X_0161 and X_195. Conserving H-bonding to Q189 & T190, and common overlapping aromatic portion. Rationale by eye in PyMol. Cheap building block synthesis (from serotonin), allowing for varying methoxy and sulfonamide functionalities.

Inspired By:
Discussion: