Submission Details
Molecule(s):
CN(C)C/C=C/C(=O)N1Cc2ccccc2C(c2ccccc2)C1
C=C(CCN(C)C)C(=O)N1Cc2ccccc2C(c2ccccc2)C1
C=C(CN(C)C)C(=O)N1Cc2ccccc2C(c2ccccc2)C1
O=C(/C=C/Cn1cncn1)N1Cc2ccccc2C(c2ccccc2)C1
CNCCN(C)C(=O)C(=O)N1Cc2ccccc2C(c2ccccc2)C1
CN(CCC(N)=O)C(=O)C(=O)N1Cc2ccccc2C(c2ccccc2)C1
Design Rationale:
Fragment x1392 was selected as the base structure to look for acrylamide and alpha-ketoamide analogs with substituents that fill the S1 pocket. The compounds were selected using template docking and visual inspection.
Other Notes:
All the submitted structures were found either on Enamine Real database or Real Space with the following IDs: Z1239843984, s_22____2019588____12103080, Z1982193847, s_22____2019588____12103050, Z2377567082, Z2314958464.