Submission Details
Molecule(s):
O=C(Cc1cncnc1)CN1CCNCC1
CC(CO)(NC1CC1)C(=O)Cc1cncnc1
CN(C)C(NC(=O)Cc1cncnc1)C1CCC1
O=C(Cc1cncnc1)NCCOC1CNC1
O=C(Cc1cncnc1)NCN1CCNCC1
N#Cc1cccc(CC(=O)Nc2cnccc2CN2CCNCC2)c1
O=C(Cc1cncnc1)NC1CCCNC1
CC1(OCC(=O)Cc2cncnc2)CNC1
CC1COC(CO)CN1Cc1ccncc1NC(=O)Cc1cccc(C#N)c1
CC(NC(=O)Cc1cncnc1)NC1COCC1O
O=C(Cc1cncnc1)CN1CCOCC1
CC(O)C(NC(=O)Cc1cncnc1)N(C)C
CC1COC(CO)CN1CNC(=O)Cc1cncnc1
O=C(Cc1cncnc1)NC(=O)C1CC1
O=C(Cc1cncnc1)NC1CCNCC1
NC(NC(=O)Cc1cncnc1)C1CC1
Design Rationale:
SeeSAR 9.2 Inspirator, fragment growing in binding site, ReCore, Mpro-x2562_BAR-COM-4e090d3a-39 (not on the list); x0425 is a placeholder (similar ring)