SeMPI 2.0

Cluster scaffolds:

O NH NH2 O NH HO O NH H2N O NH H2N O NH NH2 O NH O NH HO O NH NH2 O NH NH2 O NH HO 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
mycosubtilin 10 0.7 0.58 0.71 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
Orfamide B 19 0.68 0.56 0.69 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
marinostatin 11 0.7 0.59 0.7 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
cichofactin A 12 0.7 0.59 0.7 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
iturin 36 0.62 0.58 0.56 1.0 Non detected. MIBiG Source CCCCCCCCCCCC1CC(=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)N2CCCC2C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)N1 view iturin O NH NH2 O O NH OH O NH NH2 O O NH NH2 O O N O NH NH2 O O NH OH O NH
cichofactin B 13 0.69 0.58 0.69 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
WAP-8294A2 (lotilibcin) 14 0.69 0.6 0.68 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
streptide 15 0.69 0.59 0.68 1.0 Non detected. MIBiG Source CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1Cc2c[nH]c3c(cccc23)[C@H](CCCN)[C@H](NC(=O)[C@H](C)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N1)C(C)C)C(=O)O view streptide S NH O NH O NH2 NH O NH H2N NH O H2N O NH O NH O OH O NH O NH O OH
poaeamide A 16 0.68 0.57 0.69 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 17 0.68 0.57 0.69 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 18 0.68 0.56 0.69 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
tyrocidine 6 0.72 0.6 0.74 1.0 Non detected. MIBiG Source CC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O view tyrocidine NH O NH2 NH O NH O OH NH O NH2 O NH O NH2 O NH O NH O NH O N O NH O H
delftibactin A 7 0.71 0.56 0.75 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
Arthrofactin A 8 0.7 0.53 0.75 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
delftibactin B 9 0.7 0.56 0.74 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
polymyxin B 0 0.9 0.83 0.93 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 1 0.89 0.83 0.91 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
colistin B 2 0.86 0.75 0.91 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 3 0.86 0.74 0.91 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
lysobactin 4 0.74 0.64 0.76 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
bacitracin 5 0.73 0.61 0.75 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
WLIP 20 0.68 0.58 0.67 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 21 0.68 0.58 0.67 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
prenylagaramide C 22 0.67 0.54 0.69 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
Orfamide A 23 0.67 0.55 0.68 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
CDA3b 24 0.67 0.54 0.68 1.0 Non detected. MIBiG Source C=C(O)C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)C2OC2CCC)[C@@H](C)OC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]([C@H](O)C(N)=O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](c2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC1=O view CDA3b HO NH O NH NH O NH O OH NH O O O O NH NH O O OH NH O OH H2N O NH O NH O O HO NH O HO NH O O OH NH O
lipopeptide 8D1-2 25 0.67 0.55 0.67 1.0 Non detected. MIBiG Source CCCC(O)C(O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(O)CON)c1ccc(O)cc1)[C@@H](C)O view lipopeptide 8D1-2 HO OH O NH OH O NH O NH NH O NH O OH O NH O OH O NH O NH O OH O NH O NH O NH O OH O NH NH O OH OH O NH2 OH OH
lipopeptide 8D1-1 26 0.67 0.55 0.67 1.0 Non detected. MIBiG Source CCCC1OC1C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(O)CON)c1ccc(O)cc1)[C@@H](C)O view lipopeptide 8D1-1 O O NH OH O NH O NH NH O NH O HO O NH O OH O NH O NH O OH O NH O NH O NH O OH O NH NH O OH HO O NH2 OH OH
massetolide A 27 0.67 0.57 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
Microviridin B 28 0.66 0.54 0.67 1.0 Non detected. MIBiG Source CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C(=O)N[C@H]1C(=O)N[C@H](CC(C)C)C(=O)N[C@H]2CCCCNC(=O)CC[C@@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)NC(=O)[C@H]3CCC(=O)OC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccc(O)cc4)NC2=O)C(=O)N[C@@H](CC(=O)O[C@@H]1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N3)[C@@H](C)O view Microviridin B O NH O NH O NH O NH O NH O NH NH O O NH HO O HO NH O O O NH O N O OH NH O O NH O O O NH NH O NH OH H H H H H H
syringomycin 29 0.66 0.69 0.55 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
microviridin J 30 0.64 0.52 0.65 1.0 Non detected. MIBiG Source CCC(C)C(NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]1C(=O)NC(CCCNC(=N)N)C(=O)N[C@H]2CCCCNC(=O)CC[C@@H](C(=O)N[C@@H](Cc3cc4ccccc4[nH]3)C(=O)O)NC(=O)[C@H]3CCC(=O)OC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccc(O)cc4)NC2=O)C(=O)NC(CC(=O)O[C@@H]1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N3 view microviridin J NH O O NH OH O NH O NH NH NH NH2 O NH NH O O NH NH O HO NH O O O NH O N O OH NH O O NH O O O NH NH O NH H H H H H
Bananamide 2 31 0.64 0.55 0.61 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 32 0.64 0.55 0.61 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
Ambactin 33 0.64 0.6 0.58 1.0 Non detected. MIBiG Source CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccccc2)NC1=O view Ambactin NH O NH O NH2 O NH O OH NH O NH2 NH O NH O
teixobactin 34 0.64 0.59 0.58 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
pyoverdine 35 0.63 0.59 0.56 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
plipastatin 37 0.62 0.58 0.56 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
mersacidin 38 0.62 0.56 0.56 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
cyanopeptolin 39 0.6 0.53 0.55 1.0 Non detected. MIBiG Source CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](O)COS(=O)(=O)O)[C@@H](C)OC1=O view cyanopeptolin NH O N O N O HO NH O N NH2 NH2 NH O NH O OH O S O O OH O O H
linaclotide 40 0.6 0.56 0.52 1.0 Non detected. MIBiG Source C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@H]3CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)CSSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC3=O)C(=O)N2 view linaclotide NH O N O H2N O NH O S S NH2 O NH S S NH O O NH HO O NH O NH O NH HO O HO S S NH O OH NH O O OH NH O O NH H H H H H H H H
Myxoprincomide-c506 41 0.58 0.64 0.43 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
verlamelin 42 0.57 0.55 0.48 1.0 Non detected. MIBiG Source CCCCCCCCCC1CCCC(=O)NC(C(C)O)C(=O)NC(C)C(=O)N2CCCC2C(=O)NC(CCC(N)=O)C(=O)NC(Cc2ccccc2O)C(=O)NC(C(C)C)C(=O)O1 view verlamelin O NH OH O NH O N O NH NH2 O O NH OH O NH O O
Taxlllaid 43 0.57 0.55 0.47 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
Bananamide 3 44 0.56 0.56 0.44 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
bacillomycin D 45 0.56 0.62 0.41 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
microcystin 46 0.52 0.54 0.39 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 47 0.52 0.54 0.39 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
malleobactin D 48 0.52 0.57 0.37 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
Fabclavine Ia 49 0.51 0.53 0.37 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

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