SeMPI 2.0

Cluster scaffolds:

OH * O * HO * * O * O NH * * O * OH * OH * O * * O O NH O NH O NH O NH O NH OH O NH OH O HO

1

Putative metabolites:


Name Rank Metabolite Score Similarity MCS Score Post-Mod Score Post-Mod Info Source Link Smiles Molview Full Name Figure
Desmethylsalinamide C 0 0.61 0.53 0.58 1.0 Non detected. MIBiG Source C/C=C(C)/C=C/C(=O)NCC(=O)OC[C@@H]1NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](c2ccc(O)cc2)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@@H](NC(=O)[C@H](C)[C@H](O)C(C)C)[C@@H](C)OC1=O view Desmethylsalinamide C O NH O O NH O OH NH O N O OH NH O NH O NH O OH O O
cyclomarin D 1 0.61 0.53 0.58 1.0 Non detected. MIBiG Source C=CC(C)(C)n1cc([C@@H](O)[C@@H]2NC(=O)[C@H]([C@H](C)C=C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](OC)c3ccccc3)NC(=O)[C@H](C)NC(=O)[C@H](C[C@@H](C)CO)NC2=O)c2ccccc21 view cyclomarin D N OH NH O NH O N O NH O O NH O NH O HO NH O
Orfamide A 2 0.59 0.55 0.51 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
prenylagaramide C 3 0.59 0.57 0.5 1.0 Non detected. MIBiG Source CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(OCC=C(C)C)cc2)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C1=O view prenylagaramide C NH O NH O NH O O NH O NH O NH2 O NH O N O NH O N O H H
leucinostatin A 4 0.59 0.58 0.49 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
Bananamide 2 5 0.58 0.52 0.52 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
plipastatin 6 0.58 0.51 0.52 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
Bananamide 1 7 0.58 0.51 0.52 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
Orfamide B 8 0.58 0.55 0.5 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
Orfamide C 9 0.58 0.55 0.5 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
cichofactin B 10 0.58 0.54 0.5 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
WLIP 11 0.58 0.54 0.5 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 12 0.58 0.54 0.5 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
leucinostatin B 13 0.58 0.57 0.49 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
lysobactin 14 0.58 0.59 0.47 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
Bananamide 3 15 0.57 0.51 0.51 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
massetolide A 16 0.57 0.53 0.5 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
aureobasidin A1 17 0.57 0.52 0.5 1.0 Non detected. MIBiG Source CC[C@@H](C)[C@@H]1OC(=O)[C@H](C(C)(C)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C1=O view aureobasidin A1 O O OH N O NH O N O NH O N O N O NH O N O H
cichofactin A 18 0.57 0.54 0.49 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
poaeamide A 19 0.57 0.54 0.49 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
Poaeamide B 20 0.57 0.54 0.48 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
syringomycin 21 0.56 0.51 0.48 1.0 Non detected. MIBiG Source C/C=C1\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCN)NC(=O)[C@@H](CCN)NC(=O)[C@@H](CO)NC(=O)[C@@H](NC(=O)C[C@@H](O)CCCCCCCCC)COC(=O)[C@H]([C@H](O)CCl)NC(=O)[C@H]([C@H](O)C(=O)O)NC1=O view syringomycin NH O NH O N NH2 NH2 NH O H2N NH O NH2 NH O OH NH O NH O OH O O OH Cl NH O OH O OH NH O
Arthrofactin A 22 0.56 0.53 0.47 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
cyclosporin 23 0.56 0.54 0.46 1.0 Non detected. MIBiG Source C/C=C/C[C@@H](C)[C@@H](O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C view cyclosporin OH O NH O N O N O NH O N O NH O NH O N O N O N O N
polymyxin B 24 0.55 0.55 0.43 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
polymyxin 25 0.55 0.56 0.42 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
delftibactin A 26 0.54 0.51 0.45 1.0 Non detected. MIBiG Source C/C=C(\NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(C)C(O)C(C)N)C(O)C(=O)O)C(C)O)C(=O)NC(CCCN(O)C=O)C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)NC1CCCN(O)C1=O view delftibactin A NH O NH O NH O NH O HO NH2 OH O OH HO O NH N OH O O NH OH O NH N H2N NH2 O NH N OH O
delftibactin B 27 0.54 0.52 0.44 1.0 Non detected. MIBiG Source C/C=C(\NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(C)C(O)C(C)N)C(O)C(=O)O)C(C)O)C(=O)NC(CCCN(O)C(C)=O)C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)NC1CCCN(O)C1=O view delftibactin B NH O NH O NH O NH O HO NH2 OH O OH HO O NH N OH O O NH OH O NH N H2N NH2 O NH N OH O
WAP-8294A2 (lotilibcin) 28 0.54 0.56 0.41 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 29 0.53 0.55 0.4 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 30 0.53 0.55 0.4 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
sanglifehrin A 31 0.52 0.51 0.41 1.0 Non detected. MIBiG Source CC[C@H]1C[C@H](C)[C@@]2(NC1=O)O[C@@H](C[C@H](O)[C@@H](C)CC/C=C/C=C(\C)[C@@H]1C/C=C\C=C/[C@H](O)[C@H](C)[C@@H](O)[C@@H](CCC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc3cccc(O)c3)C(=O)N3CCC[C@H](N3)C(=O)O1)[C@H](C)[C@H](O)[C@@H]2C view sanglifehrin A NH O O OH OH OH O O NH O NH OH O N NH O O OH H
Salinamide F 32 0.52 0.53 0.4 1.0 Non detected. MIBiG Source CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](C)[C@H](O)C(C)C)[C@@H](C)OC(=O)[C@@H]2COC(=O)CNC(=O)/C=C\[C@](O)(CO)[C@@H](C)Oc3ccc(cc3)[C@H](NC1=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](C)O)C(=O)N2 view Salinamide F NH O NH O OH O O O O NH O HO HO O NH O O N O NH OH O NH H H H H H
grisemycin 33 0.52 0.56 0.37 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
Myxoprincomide-c506 34 0.52 0.56 0.36 1.0 Non detected. MIBiG Source CNC(CO)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CO)C(=O)NC(C(=O)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCN)CC(=O)NC(C)C(=O)O)C(C)C)C(C)(C)O view Myxoprincomide-c506 NH OH O NH O NH O NH HO O NH O O NH OH O NH OH O NH NH2 O NH O OH HO
actagardine 35 0.52 0.56 0.36 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
mersacidin 36 0.52 0.58 0.35 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
lariatin 37 0.51 0.52 0.38 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
puwainaphycin A 38 0.51 0.55 0.35 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
puwainaphycin C 39 0.51 0.55 0.35 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
nostopeptolide A 40 0.51 0.57 0.34 1.0 Non detected. MIBiG Source CCCC(=O)N[C@H](C(=O)N[C@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2C[C@H](C)CN2C1=O)C(C)C view nostopeptolide A O NH O NH O O N O HO NH O H2N O NH O NH O NH O O NH O N O H H
cypemycin 41 0.5 0.53 0.35 1.0 Non detected. MIBiG Source C/C=C(\NC(=O)C1CCCN1C(=O)/C(=C/C)NC(=O)C(C)NC(=O)C1CCCN1C(=O)/C(=C/C)NC(=O)C(C)N(C)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 cypemycin NH O N O NH O NH O N O NH O N O NH O NH O NH H2N O O NH O NH O NH O NH H2N O O NH O NH HO O NH O NH O NH S NH O NH O NH O
puwainaphycin B 42 0.5 0.55 0.34 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 D 43 0.5 0.55 0.34 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
Didemnin B 44 0.49 0.52 0.34 1.0 Non detected. MIBiG Source CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)C(C)O)[C@@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O view Didemnin B NH O NH O N O N O OH O O O N O N O NH O O O O OH H
microcystin 45 0.49 0.55 0.31 1.0 Non detected. MIBiG Source C=C1C(=O)N[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](Cc2ccccc2)OC)[C@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C view microcystin O NH O NH O NH O OH O NH N NH2 H2N O NH O O NH O HO O N
microcystin 46 0.49 0.55 0.31 1.0 Non detected. MIBiG Source C=C1C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](Cc2ccccc2)OC)[C@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C view microcystin O NH O NH O NH O OH O NH N NH2 H2N O NH O O NH O HO O N
Fabclavine Ia 47 0.48 0.51 0.33 1.0 Non detected. MIBiG Source CC(N)CCCCCCCC(N)CCCCCCCC(N)CCCCCCCC(N)CCCCCCC[C@@H](O)CCNC(=O)C[C@@H](O)C[C@@H](O)[C@@H]1CCCN1C(=O)C1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@H](N)C(=O)O)CC(=O)NC1C view Fabclavine Ia NH2 NH2 NH2 NH2 OH NH O OH OH N O NH O NH2 O NH O NH O NH O H2N O OH O NH
teixobactin 48 0.48 0.53 0.32 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
bacitracin 49 0.48 0.53 0.31 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

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