Submission Details
Molecule(s):
CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Oc1cccc(Cl)c1Cl
Design Rationale:
Design implications of P1090 crystal structure (MAT-POS-4223bc15-23) Used the pose in the crystal structure as a query in ROCS, CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Oc1cccc(Cl)c1Cl has a favorable binding energy estimate (so do others, this just seemed interesting to me)
Other Notes:
ZINC8328404, has 3 vendors. The database used for screening was emolecules, but searching their website produced no hits.