Submission Details
Molecule(s):
C[C@H]1C[C@@H](O)CN1C(=O)[C@H]1CC[C@H](C)CC1
Cc1c[nH]cc(C(=O)N2CCN[C@@H](C)C2)c1=O
CCc1cc(C(=O)N2CCn3nncc3C2)n[nH]1
RAF-POL-950dada1-4
Duplicate of:
RAF-POL-8f876833-1
CCn1nccc1NC(=O)N1CCCCCO1
Cn1cncc1CNC(=O)N1CCC[C@@H](F)C1
RAF-POL-950dada1-6
Duplicate of:
RAF-POL-8f876833-1
CCn1nccc1NC(=O)N1CCCCCO1
O=C1C[C@@H]2CC[C@H](C1)N2c1ncnc2[nH]ccc12
Cc1nc(O)[nH]c1C(=O)N1CCCc2n[nH]cc21
C[C@@H]1CN(c2cccnn2)CCC1(F)F
C[C@@H](NC(=O)N1CCCCCO1)[C@@H]1CCOC1
CC(=O)NCC(=O)N1CC[C@]2(CCCNC2)C1
Oc1nnc([C@@H]2CCCN(c3cccnn3)C2)o1
Cc1[nH]nc(C(=O)N2CC[C@@H](N)C[C@H]2C)c1C
RAF-POL-950dada1-15
Duplicate of:
RAF-POL-f691468c-1
Cc1ncc(C)c(N[C@H]2CCc3n[nH]cc3C2)n1
C[C@H]1C[C@H](C(=O)N2Cc3cccnc3C2)CO1
Oc1cccnc1CN1CCC2(CCOCC2)C1
O=C(COC1CNC1)N1CCC[C@H]2CNC[C@H]21
O=C(c1ccnc2[nH]cnc12)N1CCC[C@@H](F)C1
O=C(N[C@H]1[C@H]2CCC[C@H]21)c1ccc2nc[nH]c2n1
Design Rationale:
Molecular docking with flexible residues via AutoDockVina 1.1.2; Average dG -7.0 +-0.2 kcal