FRA-FAC-9ed5a63a-1
Duplicate of:
ALE-HEI-f28a35b5-9
O=C(CC1CCCCC1)Nc1cccnc1
O=C(CC1CCC(F)CC1)Nc1cccnc1
O=C(Nc1cccnc1)NC1CCC(F)CC1
O=C(Nc1cccnc1)N[C@@H]1CC[C@H]2O[C@@H]2C1
Nc1cncc(NC(=O)N[C@@H]2CC[C@H]3O[C@@H]3C2)c1
O=C(Nc1cncc(CO)c1)N[C@@H]1CC[C@H]2O[C@@H]2C1
[N+]Cc1cncc(CC(=O)N[C@@H]2CC[C@H]3O[C@@H]3C2)c1
Non-covalent fragments affinity was estimated through CSM-lig (http://biosig.unimelb.edu.au/csm_lig/). Best scored fragments were used as templates in SeeSAR software and optimized using the Molecule Editor feature, taking into account possible interactions with the receptor pocket.