SeMPI 2.0

Cluster scaffolds:

O NH O NH O OH O NH O NH2 O NH O NH O NH O NH2 O NH OH O NH O NH O NH OH O NH O OH

1

Putative metabolites:


Name Rank Metabolite Score Similarity MCS Score Post-Mod Score Post-Mod Info Source Link Smiles Molview Full Name Figure
bacitracin 11 0.76 0.71 0.73 1.0 Non detected. MIBiG Source CCC(C)C(N)C1=NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC2CCCCNC(=O)C(CC(N)=O)NC(=O)C(CC(=O)O)NC(=O)C(Cc3cnc[nH]3)NC(=O)C(Cc3ccccc3)NC(=O)C(C(C)CC)NC(=O)C(CCCN)NC2=O)C(C)CC)CS1 view bacitracin NH2 N O NH O NH O OH O NH O NH NH O NH2 O NH O O HO NH O N NH NH O NH O NH O NH2 NH O S
massetolide A 12 0.75 0.78 0.66 1.0 Non detected. MIBiG Source CCCCCCC[C@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H]1C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H]([C@H](C)CC)C(=O)O[C@@H]1C view massetolide A HO O NH O NH O HO O NH O NH O NH O NH OH O NH O NH OH O NH O O
polymyxin B 13 0.74 0.64 0.75 1.0 Non detected. MIBiG Source CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O view polymyxin B O NH H2N O NH O NH NH2 O NH NH O HO NH O NH2 NH O NH2 NH O NH O NH O NH2 NH O OH
cichofactin A 14 0.74 0.78 0.65 1.0 Non detected. MIBiG Source CCCCCCCC(O)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C view cichofactin A OH O NH NH N O NH O NH O NH NH2 O O NH O NH NH2 O O NH O NH O NH O HO
WLIP 15 0.74 0.77 0.65 1.0 Non detected. MIBiG Source CCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H]1C(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@@H]1C view WLIP HO O NH O NH O HO O NH O NH O NH O NH OH O NH O NH OH O NH O O
viscosin 16 0.74 0.77 0.65 1.0 Non detected. MIBiG Source CCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H]1C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@@H]1C view viscosin HO O NH O NH O HO O NH O NH O NH O NH OH O NH O NH OH O NH O O
Bananamide 3 17 0.74 0.78 0.64 1.0 Non detected. MIBiG Source CCCCCCCC(O)CC(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC1C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)OC1C view Bananamide 3 OH O NH O NH O OH O NH O NH O NH O NH NH2 O O NH O NH O O
Arthrofactin A 0 0.83 0.82 0.8 1.0 Non detected. MIBiG Source CCCCCCC[C@H](O)CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H]1C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)NC(CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)O[C@@H]1C view Arthrofactin A HO O NH O NH O OH O NH O NH O NH O NH OH O NH O NH OH O NH O NH O NH O OH O O
Poaeamide B 1 0.8 0.8 0.74 1.0 Non detected. MIBiG Source CCCCCCCC(O)CC(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC1C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)OC1C view Poaeamide B OH O NH O NH O OH O NH O NH O NH O NH OH O NH O NH O NH HO O NH O O
Orfamide C 2 0.79 0.79 0.74 1.0 Non detected. MIBiG Source CCCCCCCCC[C@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H]1C(=O)N[C@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C view Orfamide C OH O NH O NH O OH O NH O NH O NH O NH OH O NH O NH O NH HO O NH O O
poaeamide A 3 0.79 0.79 0.73 1.0 Non detected. MIBiG Source CCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H]1C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@@H]1C view poaeamide A OH O NH O NH O OH O NH O NH O NH O NH OH O NH O NH O NH HO O NH O O
xantholysin A 4 0.78 0.7 0.78 1.0 Non detected. MIBiG Source CCCCCCCC(O)CC(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC1COC(=O)C(C(C)CC)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC1=O)C(C)C view xantholysin A OH O NH O NH O OH O NH NH2 O O NH O NH O NH H2N O O NH O O NH O NH2 O NH O NH O NH O H2N O NH O NH O NH O
xantholysin B 5 0.78 0.7 0.78 1.0 Non detected. MIBiG Source CCCCCCCC(O)CC(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC1COC(=O)C(C(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC1=O)C(C)C view xantholysin B OH O NH O NH O OH O NH NH2 O O NH O NH O NH H2N O O NH O O NH O NH2 O NH O NH O NH O H2N O NH O NH O NH O
Orfamide A 6 0.78 0.78 0.73 1.0 Non detected. MIBiG Source CCCCCCCCCCC[C@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H]1C(=O)N[C@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C view Orfamide A HO O NH O NH O HO O NH O NH O NH O NH OH O NH O NH O NH OH O NH O O
colistin B 7 0.77 0.7 0.77 1.0 Non detected. MIBiG Source CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O view colistin B O NH H2N O NH O NH NH2 O NH NH O OH NH O NH2 NH O NH2 NH O NH O NH O NH2 NH O OH
colistin A 8 0.77 0.7 0.77 1.0 Non detected. MIBiG Source CC[C@@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O view colistin A O NH H2N O NH O NH NH2 O NH NH O HO NH O NH2 NH O NH2 NH O NH O NH O NH2 NH O OH
xantholysin C 9 0.77 0.69 0.77 1.0 Non detected. MIBiG Source CCCCCC/C=C\CC(O)CC(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC1COC(=O)C(C(C)CC)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC1=O)C(C)C view xantholysin C OH O NH O NH O OH O NH NH2 O O NH O NH O NH H2N O O NH O O NH O NH2 O NH O NH O NH O H2N O NH O NH O NH O
Orfamide B 10 0.77 0.77 0.72 1.0 Non detected. MIBiG Source CCCCCCCCCCC[C@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H]1C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C view Orfamide B OH O NH O NH O OH O NH O NH O NH O NH OH O NH O NH O NH HO O NH O O
Taxlllaid 18 0.73 0.66 0.71 1.0 Non detected. MIBiG Source CC(C)CCCC(=O)N[C@@H]1C(=O)NC(C)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O[C@@H]1C view Taxlllaid O NH O NH O NH O NH O NH O NH O NH O O
cichofactin B 19 0.73 0.77 0.64 1.0 Non detected. MIBiG Source CCCCCCCCCC(O)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C view cichofactin B OH O NH NH N O NH O NH O NH NH2 O O NH O NH NH2 O O NH O NH O NH O OH
Bananamide 2 20 0.73 0.78 0.63 1.0 Non detected. MIBiG Source CCCCCC/C=C/CC(O)CC(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC1C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)OC1C view Bananamide 2 OH O NH O NH O OH O NH O NH O NH O NH NH2 O O NH O NH O O
Bananamide 1 21 0.73 0.78 0.63 1.0 Non detected. MIBiG Source CCCCCCCCCC(O)CC(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC1C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)OC1C view Bananamide 1 OH O NH O NH O OH O NH O NH O NH O NH NH2 O O NH O NH O O
sessilin A 22 0.71 0.67 0.67 1.0 Non detected. MIBiG Source C/C=C(\N)C(=O)N1CCC[C@]1(C(=O)CC(O)CCCCC)C(=O)N[C@H](CO)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)N/C(=C/C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CCO)C(=O)N[C@H](CCN)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)CC)[C@@H](C)O)C(C)C)C(C)C)C(C)C)C(C)C view sessilin A NH2 O N O OH O NH HO O NH O NH O NH NH2 O O NH O NH O NH O NH NH2 O O NH O NH O NH O NH O NH O NH HO O NH NH2 O NH NH2 O OH OH
laspartomycin 23 0.7 0.6 0.69 1.0 Non detected. MIBiG Source CC[C@@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]2CCCCN2C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)/C=C/CCCCCCCCCC(C)C)CNC(=O)[C@@H]2CCCN2C1=O view laspartomycin NH O HO NH O NH O O OH NH O NH O O OH NH O NH O N O NH O O OH NH O NH O N O H H
mycosubtilin 24 0.7 0.63 0.67 1.0 Non detected. MIBiG Source CCC(C)CCCCCCCCCCC1CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1 view mycosubtilin O NH NH2 O O NH NH2 O O N O NH HO O NH NH2 O O NH H2N O O NH OH O NH NH2 O O NH H
actagardine 25 0.7 0.65 0.66 1.0 Non detected. MIBiG Source CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CC)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CC)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)N)[C@@H](C)CC)C(C)C)C(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)O view actagardine NH O NH O NH O NH O NH O HO NH O NH O NH NH O NH O NH O NH O O HO NH O NH O NH O NH O H2N O NH O NH O NH O OH
tolaasin F 26 0.7 0.65 0.66 1.0 Non detected. MIBiG Source C/C=C(\NC(=O)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)/C(=C/C)NC(=O)CC(O)CCCCC)C(C)C)C(C)C)C(C)C)C(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCO)C(=O)N[C@H](CCN)C(=O)N[C@@H](CCCCN)C(=O)O[C@@H]1C view tolaasin F NH O NH O NH O NH2 O NH O NH O NH O NH O OH NH O NH O NH O OH NH O N O NH O OH O NH O NH O NH OH O NH H2N O NH H2N O O
leucinostatin B 27 0.69 0.61 0.67 1.0 Non detected. MIBiG Source CCC(=O)CC(O)CC(C)CC(NC(=O)C1CC(C)CN1C(=O)/C=C/C(C)CC)C(=O)NC(C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(C)CNC)C(O)C(C)C view leucinostatin B O OH NH O N O O NH O NH O NH O NH O NH O NH O NH O NH NH OH
tolaasin I 28 0.69 0.65 0.65 1.0 Non detected. MIBiG Source C/C=C(\NC(=O)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]1CCCN1C(=O)/C(=C/C)NC(=O)CC(O)CCCCC)C(C)C)C(C)C)C(C)C)C(C)C)C(=O)N[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCO)C(=O)N[C@H](CCN)C(=O)N[C@@H](CCCCN)C(=O)O[C@@H]1C view tolaasin I NH O NH O NH O H2N O NH O NH O NH O NH O OH NH O NH O NH O HO NH O N O NH O OH O NH O NH O NH OH O NH NH2 O NH NH2 O O
SapB 29 0.69 0.66 0.63 1.0 Non detected. MIBiG Source C=C1NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)CNC(=O)C(N)C(C)O)CSCC(C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC2CSCC(C(=O)NC(CC(N)=O)C(=O)O)NC(=O)C(C(C)O)NC(=O)C(C(C)O)NC(=O)C(C(C)CC)NC(=O)C(=C)NC(=O)C(CC(C)C)NC(=O)C(CO)NC2=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC1=O view SapB NH O NH O NH NH NH2 NH O NH O NH O NH2 OH S O NH O NH O OH O NH S O NH NH2 O O OH NH O OH NH O OH NH O NH O NH O NH O OH NH O NH O NH O NH O NH O
leucinostatin A 30 0.68 0.61 0.66 1.0 Non detected. MIBiG Source CCC(=O)CC(O)CC(C)CC(NC(=O)C1CC(C)CN1C(=O)/C=C/C(C)CC)C(=O)NC(C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(C)CN(C)C)C(O)C(C)C view leucinostatin A O OH NH O N O O NH O NH O NH O NH O NH O NH O NH O NH N OH
daptomycin 31 0.68 0.6 0.65 1.0 Non detected. MIBiG Source CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H]([C@H](C)CC(=O)O)C(=O)N[C@@H](CC(=O)c2ccccc2N)C(=O)O[C@@H]1C view daptomycin O NH NH O NH NH2 O O NH O OH O NH O NH O NH NH2 O NH O OH O NH O NH O HO O NH O NH OH O NH O HO O NH O H2N O O
grisemycin 32 0.68 0.63 0.64 1.0 Non detected. MIBiG Source C/C=C(\NC(=O)C(C)N(C)C)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(C(=O)NC(CCC(N)=O)C(=O)NCC(=O)NC(CO)C(=O)N/C(=C/C)C(=O)NC(C(=O)NC1CS/C=C\NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC1=O)[C@H](C)CC)[C@H](C)CC)C(C)C)C(C)C view grisemycin NH O N O N O NH O NH O NH O NH H2N O O NH O NH O NH O NH NH2 O O NH O NH OH O NH O NH O NH S NH O NH O NH O
lariatin 33 0.68 0.62 0.64 1.0 Non detected. MIBiG Source CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O view lariatin NH O NH O H2N O NH O HO NH O N NH NH O NH O NH O NH NH O O NH O NH HO O NH NH2 O O NH O NH O NH OH O NH NH HN NH2 O NH O NH O N O OH
mersacidin 34 0.68 0.67 0.61 1.0 Non detected. MIBiG Source C=C(S)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)C(=C)NC(=O)[C@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC)NC(=O)[C@@H](N)CS)C(C)C)[C@@H](C)CC view mersacidin SH NH O NH O HS NH O O OH NH O NH O NH O NH O NH O SH NH O NH O NH O NH O NH O NH O N O NH O NH O NH O NH O H2N SH
lysobactin 35 0.67 0.68 0.58 1.0 Non detected. MIBiG Source CCC(C)C1NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(C(O)C(C)C)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(N)CC(C)C)C(c2ccccc2)OC(=O)C(CO)NC(=O)C(C(O)C(N)=O)NC(=O)CNC(=O)C(C(C)O)NC1=O view lysobactin NH O N NH2 NH2 NH O NH O OH NH O NH O NH O H2N O O OH NH O HO NH2 O NH O NH O OH NH O
puwainaphycin C 36 0.66 0.6 0.61 1.0 Non detected. MIBiG Source C/C=C1/NC(=O)[C@H](C(C)C)NC(=O)[C@H](O)[C@@H]([C@@H](C)CCCCCCCCCC(Cl)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H]([C@H](C)OC)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H]([C@H](C)O)NC1=O view puwainaphycin C NH O NH O HO Cl NH O N O NH2 O N O O NH O NH O NH2 O NH O OH NH O OH NH O H
teixobactin 37 0.66 0.69 0.56 1.0 Non detected. MIBiG Source CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC)C(=O)N[C@@H](CO)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C[C@H]2CN=C(N)N2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@H]1C)[C@@H](C)CC)[C@@H](C)CC view teixobactin NH O NH O NH OH O NH NH2 O O NH O NH O NH OH O NH O NH O NH N NH2 NH O NH O O
puwainaphycin D 38 0.65 0.61 0.6 1.0 Non detected. MIBiG Source C/C=C1/NC(=O)[C@H](C(C)C)NC(=O)[C@H](O)[C@@H]([C@@H](C)CCCCCCCCCC(Cl)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H]([C@H](C)OC)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](C)O)NC1=O view puwainaphycin D NH O NH O HO Cl NH O N O NH2 O N O O NH O NH O NH2 O NH O NH O OH NH O H
plipastatin 39 0.65 0.61 0.59 1.0 Non detected. MIBiG Source CCCCCCCCCCCCCC(O)CC(=O)NC(CCC(=O)O)C(=O)NC(CCCN)C(=O)NC1Cc2ccc(cc2)OC(=O)C(C(C)CC)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCC(N)=O)NC(=O)C2CCCN2C(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)O)NC1=O view plipastatin HO O NH O HO O NH H2N O NH O O NH O OH NH O NH2 O NH O N O NH O O OH NH O OH NH O
WAP-8294A2 (lotilibcin) 40 0.65 0.65 0.56 1.0 Non detected. MIBiG Source CC(C)CCC[C@@H]1CC(=O)N[C@@H](CO)C(=O)N[C@H]([C@@H](O)C(N)=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N(C)[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCN)C(=O)N(C)[C@@H](C(C)C)C(=O)O1 view WAP-8294A2 (lotilibcin) O NH OH O NH HO NH2 O O NH HO O NH O N O NH O NH NH2 O NH O OH O NH NH2 O O NH NH O NH NH2 O N O O
Xenoamicin A 41 0.64 0.65 0.55 1.0 Non detected. MIBiG Source CCCC(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N[C@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)NCCC(=O)N2CCC[C@@H]2C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C)[C@H](C)CC)C(C)C view Xenoamicin A O N O NH O NH O NH O NH O NH O NH O NH O NH O NH O NH O N O NH O O H
Xenoamicin B 42 0.64 0.65 0.55 1.0 Non detected. MIBiG Source CCCC(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N[C@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)NCCC(=O)N2CCC[C@@H]2C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C)[C@H](C)CC)C(C)C view Xenoamicin B O N O NH O NH O NH O NH O NH O NH O NH O NH O NH O NH O N O NH O O H
pyoverdine 43 0.62 0.61 0.54 1.0 Non detected. MIBiG Source C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCN(O)C=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN(O)C=O)NC(=O)[C@@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CO)NC(=O)C2CCNC3C(NC(=O)CCC(=O)O)=Cc4cc(O)c(O)cc4N23)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O view pyoverdine OH NH O N OH O NH O NH O N HO O NH O OH NH O N H2N NH2 NH O OH NH O NH NH O O HO OH OH N NH O OH NH O
polymyxin 44 0.6 0.66 0.45 1.0 Non detected. MIBiG Source CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)NC(=O)C(CCN)NC1=O)C(C)O.O=S(=O)(O)O view polymyxin O NH H2N O NH O NH NH2 O NH NH O HO NH O NH2 NH O NH2 NH O NH O NH O NH2 NH O OH O S O OH OH
marinostatin 45 0.57 0.6 0.45 1.0 Non detected. MIBiG Source CSCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)OC(=O)C[C@@H]2NC(=O)[C@H](COC(=O)C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CO)NC2=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCN=C(N)N)NC1=O view marinostatin S NH O NH O NH O NH2 O O NH O O O O NH O HO O HO NH O HO NH O NH O N O OH NH O N NH2 NH2 NH O H H H
bacillomycin D 46 0.57 0.59 0.45 1.0 Non detected. MIBiG Source CCC(C)CCCCCCCCCCC1CC(=O)NC(CC(N)=O)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)NCCCCC(=O)NC(CC(N)=O)C(=O)NC(C(C)O)C(=O)N1 view bacillomycin D O NH H2N O O NH OH O NH NH2 O O NH NH2 O O NH O NH NH2 O O NH OH O NH
puwainaphycin B 47 0.57 0.61 0.44 1.0 Non detected. MIBiG Source C/C=C1/NC(=O)[C@H](C(C)C)NC(=O)[C@H](O)[C@@H]([C@@H](C)CCCCCCCCCC(=O)CCCC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H]([C@H](C)OC)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](C)O)NC1=O view puwainaphycin B NH O NH O HO O NH O N O NH2 O N O O NH O NH O NH2 O NH O NH O OH NH O H
puwainaphycin A 48 0.57 0.6 0.44 1.0 Non detected. MIBiG Source C/C=C1/NC(=O)[C@H](C(C)C)NC(=O)[C@H](O)[C@@H]([C@@H](C)CCCCCCCCCC(=O)CCCC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H]([C@H](C)OC)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H]([C@H](C)O)NC1=O view puwainaphycin A NH O NH O HO O NH O N O NH2 O N O O NH O NH O NH2 O NH O OH NH O OH NH O H
malleobactin D 49 0.55 0.62 0.39 1.0 Non detected. MIBiG Source NCCCCNC(=O)[C@H](CCCN(O)C=O)NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](CCC/N=[N+](\[O-])CCC[C@H](NC=O)C(=O)N[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN(O)C=O)C(=O)NCCCCN)[C@@H](O)C(=O)O)NC=O)[C@@H](O)C(=O)O view malleobactin D NH2 NH O N OH O NH O OH NH O NH O N N+ O- NH O O NH O NH OH O NH N HO O O NH H2N OH O OH NH O OH O OH

© 2018 Pharmaceutical Bioinformatics