Submission Details
Molecule(s):
Cc1c(C#N)nc2ccc3n2c1[C@H]([C@@H]1OC[C@H](C)[C@H]1C=O)OC3
Design Rationale:
binding energy estimate -14.4+/-1.3kcal in 7d1m.pdb
Other Notes:
I have not found this scaffold, so perhaps it would be novel if it were actually synthesized. There are similar scaffolds in Zinc15, and it has some similarity to PRODOLIC ACID (https://drugs.ncats.io/drug/U8EX2DRD73)