Submission Details
Molecule(s):
O=C(c1cc(-n2nc3ccc(O)cc3n2)c(O)cc1O)c1cc(-n2nc3ccc(O)cc3n2)c(F)c(F)c1O
O=C(c1cc(-n2nc3ccc(O)cc3n2)c(O)cc1O)c1cc(-n2nc3ccc(O)cc3n2)c2c(c1O)O2
O=Cc1cc(O)c(C(=O)c2cc(-n3nc4ccc(O)cc4n3)c(O)cc2O)cc1-n1nc2ccc(O)cc2n1
Design Rationale:
Pharmacophore search based on fragments, followed by 3D filtering, and manual design of covalent warheads.