Submission Details

Molecule(s):
O=C(N1CCOCC1)N1C[C@@H]2C[C@]2(C(=O)O)C1

RAF-POL-b61b4b25-1

O=C(N1CCOCC1)N1C[C@@H]2C[C@]2(C(=O)O)C1

C[C@@H](NC(=O)N[C@H]1CC12CC2)c1ccnc(O)c1

RAF-POL-b61b4b25-2

C[C@@H](NC(=O)N[C@H]1CC12CC2)c1ccnc(O)c1

O=C(O)c1ccc(N2C[C@H](O)C3(CC3)C2)nn1

RAF-POL-b61b4b25-3

O=C(O)c1ccc(N2C[C@H](O)C3(CC3)C2)nn1

Cc1cc(O)ccc1NC(=O)[C@H](C)N1CC(C)C1

RAF-POL-b61b4b25-4

Cc1cc(O)ccc1NC(=O)[C@H](C)N1CC(C)C1

3-aminopyridine-like Check Availability on Manifold View
Cc1nc(CN2C(=O)NC3(CCCC3)C2=O)co1

RAF-POL-b61b4b25-5

Cc1nc(CN2C(=O)NC3(CCCC3)C2=O)co1

Cc1cnc2cc(C(=O)N[C@@H](C)C(N)=O)ccn12

RAF-POL-b61b4b25-6

Cc1cnc2cc(C(=O)N[C@@H](C)C(N)=O)ccn12

O=C(NC[C@@H]1CC12CC2)c1ccnc2[nH]nnc12

RAF-POL-b61b4b25-7

O=C(NC[C@@H]1CC12CC2)c1ccnc2[nH]nnc12

Cc1nnccc1C(=O)N1CC[C@@H]2OCC[C@@H]2C1

RAF-POL-b61b4b25-8

Cc1nnccc1C(=O)N1CC[C@@H]2OCC[C@@H]2C1


Design Rationale:

Molecular docking with flexible residues using AutoDockVina 1.1.2, avg dG 7.0 +- 0.1 kcal/mol

Inspired By:
Discussion: