Submission Details

RAF-POL-9fce0577
Molecule(s):
O=C(N[C@@H]1CC12CC2)c1cc(O)nc(C2CC2)c1

RAF-POL-9fce0577-1

O=C(N[C@@H]1CC12CC2)c1cc(O)nc(C2CC2)c1

NCCNC(=O)N1CC(=O)Nc2ccccc2C1

RAF-POL-9fce0577-2

NCCNC(=O)N1CC(=O)Nc2ccccc2C1

O=C(N[C@@H]1[C@H]2CCC[C@H]21)N1CCn2cncc2C1

RAF-POL-9fce0577-3

O=C(N[C@@H]1[C@H]2CCC[C@H]21)N1CCn2cncc2C1

C[C@@H]1CC[C@@H]1NC(=O)N1CC[C@H](c2nc[nH]n2)C1

RAF-POL-9fce0577-4

C[C@@H]1CC[C@@H]1NC(=O)N1CC[C@H](c2nc[nH]n2)C1

C[C@H]1NCC[C@@H]1C(=O)N1CCC[C@H]2CNC[C@H]21

RAF-POL-9fce0577-5

C[C@H]1NCC[C@@H]1C(=O)N1CCC[C@H]2CNC[C@H]21

Design Rationale:

Molecular docking with flexible amino acid residues, average dG +- 7.0 kcal/mol

Inspired By:
Discussion:

Contributor: Rafał Madaj, Polish Academy of Sciences - Thu, 09 Apr 2020 09:19:05 +0000