IDR 1018 (acetate)

IDR 1018 is an antibacterial peptide. It is active against P. aeruginosa and S. aureus (MICs = 19 and 5 µg/ml, respectively). IDR 1018 (20 µg/ml) decreases TNF-alpha secretion induced by LPS in isolated human peripheral blood mononuclear cells (PBMCs). It reduces biofilm formation by P. aeruginosa, A. baumannii, S. enterica, and methicillin-resistant S. aureus (MRSA) when used in combination with ceftazidime (Cay-14828). InChI: InChI=1S/C71H126N26O12.C2H4O2/c1-14-39(11)54(66(108)93-50(33-42-34-86-44-23-17-16-22-43(42)44)61(103)89-46(25-19-29-83-69(76)77)58(100)88-45(56(73)98)24-18-28-82-68(74)75)96-60(102)48(27-21-31-85-71(80)81)91-65(107)53(38(9)10)94-57(99)41(13)87-64(106)52(37(7)8)95-67(109)55(40(12)15-2)97-62(104)49(32-35(3)4)92-59(101)47(26-20-30-84-70(78)79)90-63(105)51(72)36(5)6,1-2(3)4/h16-17,22-23,34-41,45-55,86H,14-15,18-21,24-33,72H2,1-13H3,(H2,73,98)(H,87,106)(H,88,100)(H,89,103)(H,90,105)(H,91,107)(H,92,101)(H,93,108)(H,94,99)(H,95,109)(H,96,102)(H,97,104)(H4,74,75,82)(H4,76,77,83)(H4,78,79,84)(H4,80,81,85),1H3,(H,3,4)/t39-,40-,41-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,/m0./s1 InChIKey: LRGVZTXWLGHRPR-XIQVEKCESA-N SMILES: CC[C@@H]([C@@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N)=O)CCCNC(N)=N)=O)CCCNC(N)=N)=O)CC1=CNC2=C1C=CC=C2)=O)NC([C@@H](NC([C@H](C(C)C)NC([C@@H](NC([C@H](C(C)C)NC([C@H]([C@H](CC)C)NC([C@@H](NC([C@@H](NC([C@H](C(C)C)N)=O)CCCNC(N)=N)=O)CC(C)C)=O)=O)=O)C)=O)=O)CCCNC(N)=N)=O)C.CC(O)=O