SeMPI 2.0

Cluster scaffolds:

NH2 HO OH * O * O NH * O * O * O NH HO O * * O * O * O * OH * OH * O * O * OH * O * O * OH * HO * * O * O * O * O NH * O * O * O NH OH 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
sanglifehrin A 0 0.43 0.38 0.41 0.67 6-Ring:1/1 * 5-Ring:0/1 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
versipelostatin 1 0.4 0.38 0.35 0.67 6-Ring:0/1 * 5-Ring:1/1 MIBiG Source CC/C1=C/[C@H](CO)C[C@@H](C)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@@H]3C[C@H](OC)C(O[C@@H]4C[C@H](O)[C@H](O)[C@@H](C)O4)[C@H](C)O3)[C@@H](C)O2)[C@H](C)CCC[C@]2(C)C=C(C)[C@H](C)C[C@]23OC(=O)/C(=C(\O)[C@]2(CC)[C@H]1C(C)=C[C@@H]1[C@@H](O)CC(=O)[C@H](C)[C@H]12)C3=O view versipelostatin OH O OH O O O HO OH O O O O O OH OH O O H H H
quartromicin 2 0.38 0.43 0.35 0.33 6-Ring:0/1 * 5-Ring:4/1 MIBiG Source C/C1=C/C=C\C2(C)C=C(CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C(C)CC23OC([O-])C(C3=O)C(O)/C=C\C2(C)C=C(C=O)C(C)CC23OC([O-])C(C3=O)C(O)/C(C)=C\C=C/C2C=C(CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C(C)CC23OC([O-])C(C3=O)C(O)/C=C\C2(C)C=C(C=O)C(C)CC23OC([O-])C(C3=O)C1O view quartromicin O O HO OH OH OH O O- O OH O O O- O HO O O OH HO HO OH O O- O OH O O O- O OH
leucinostatin A 18 0.24 0.42 0.16 0.0 6-Ring:0/1 * 5-Ring:0/1 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
aculeximycin 3 0.38 0.38 0.31 0.67 6-Ring:1/1 * 5-Ring:0/1 MIBiG Source CCC[C@@H](O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)[C@@H](C)[C@@H](O)[C@@H](/C=C/[C@H](O)[C@@H](C)[C@@H]1C/C=C(/C)[C@@H](O)[C@@H](C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C[C@@H](O)[C@@H](C)[C@H](O)CC2C[C@H](O)[C@@H](O)[C@@](O)(C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O[C@H]4C[C@@H](N)[C@H](O)[C@@H](C)O4)[C@H]3O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)CC[C@@H](O)C[C@@H](O)C/C=C(/CC)C(=O)O1)O2)CC view aculeximycin O NH2 HO O OH OH HO O O HO OH OH OH OH OH OH OH OH O O OH O NH2 OH O O O OH OH OH OH OH O O O
kijanimicin 4 0.29 0.39 0.28 0.0 6-Ring:0/1 * 5-Ring:0/1 MIBiG Source COC(=O)N[C@H]1[C@@H](C)O[C@@H](O[C@H]2C/C=C(/C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5C[C@@H](O[C@H]6C[C@@H](O[C@H]7C[C@@H](O)[C@@H](O)[C@H](C)O7)[C@@H](O[C@@H]7C[C@@H](O)[C@@H](OC)[C@H](C)O7)[C@H](C)O6)[C@@H](O)[C@H](C)O5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(=O)C3=C(O)O[C@]4(C[C@@H](C)C(CO)=C[C@H]4/C=C\2C)C3=O)C[C@]1(C)[N+](=O)[O-] view kijanimicin O O NH O O O O O OH OH O O OH O O O OH O O OH O OH O N+ O O- H H H H
xanthan 5 0.29 0.39 0.28 0.0 6-Ring:0/1 * 5-Ring:0/1 MIBiG Source C/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)COP(=O)([O-])OP(=O)([O-])O[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O view xanthan O P O O- O P O O- O O OH O O OH OH O O OH OH HO O O O O- O O OH OH HO OH OH OH HO OH OH
puwainaphycin B 6 0.26 0.4 0.23 0.0 6-Ring:0/1 * 5-Ring:0/1 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 7 0.26 0.4 0.23 0.0 6-Ring:0/1 * 5-Ring:0/1 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
cyclosporin 8 0.26 0.52 0.13 0.0 6-Ring:0/1 * 5-Ring:0/1 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
puwainaphycin D 9 0.25 0.39 0.21 0.0 6-Ring:0/1 * 5-Ring:0/1 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
puwainaphycin C 10 0.25 0.39 0.21 0.0 6-Ring:0/1 * 5-Ring:0/1 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
aureobasidin A1 11 0.25 0.39 0.2 0.0 6-Ring:0/1 * 5-Ring:0/1 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
Orfamide A 12 0.25 0.4 0.19 0.0 6-Ring:0/1 * 5-Ring:0/1 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
Orfamide B 13 0.25 0.4 0.19 0.0 6-Ring:0/1 * 5-Ring:0/1 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
sessilin A 14 0.25 0.49 0.13 0.0 6-Ring:0/1 * 5-Ring:0/1 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
Didemnin B 15 0.24 0.41 0.18 0.0 6-Ring:0/1 * 5-Ring:0/1 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
Orfamide C 16 0.24 0.4 0.17 0.0 6-Ring:0/1 * 5-Ring:0/1 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
leucinostatin B 17 0.24 0.42 0.16 0.0 6-Ring:0/1 * 5-Ring:0/1 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
xantholysin C 19 0.24 0.44 0.14 0.0 6-Ring:0/1 * 5-Ring:0/1 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
actinomycin 20 0.23 0.39 0.16 0.0 6-Ring:0/1 * 5-Ring:0/1 MIBiG Source Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O view actinomycin O O NH O NH O N O N O N O O N O NH O NH O N O N O N O O H2N O
moenomycin 21 0.23 0.41 0.15 0.0 6-Ring:0/1 * 5-Ring:0/1 MIBiG Source C=C(C/C=C(\C)CCC=C(C)C)CCC(C)(C)/C=C/CC/C(C)=C/CO[C@H](COP(=O)([O-])O[C@H]1O[C@H](C(=O)[O-])[C@@](C)(O)[C@H](OC(N)=O)[C@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@@H]3O[C@H](C(=O)NC4=C(O)CCC4=O)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)C(=O)[O-] view moenomycin O O P O O- O O O O- OH O NH2 O O O O O HO HO OH OH O O O O O NH OH O OH OH HO HO NH O OH NH O O O-
Arthrofactin A 22 0.23 0.4 0.15 0.0 6-Ring:0/1 * 5-Ring:0/1 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 23 0.23 0.4 0.15 0.0 6-Ring:0/1 * 5-Ring:0/1 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
poaeamide A 24 0.23 0.4 0.15 0.0 6-Ring:0/1 * 5-Ring:0/1 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
cypemycin 25 0.23 0.44 0.13 0.0 6-Ring:0/1 * 5-Ring:0/1 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
xantholysin A 26 0.23 0.43 0.13 0.0 6-Ring:0/1 * 5-Ring:0/1 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 27 0.23 0.43 0.13 0.0 6-Ring:0/1 * 5-Ring:0/1 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
grisemycin 28 0.23 0.43 0.13 0.0 6-Ring:0/1 * 5-Ring:0/1 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
tolaasin F 29 0.23 0.48 0.1 0.0 6-Ring:0/1 * 5-Ring:0/1 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
tolaasin I 30 0.23 0.48 0.1 0.0 6-Ring:0/1 * 5-Ring:0/1 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
cichofactin B 31 0.22 0.37 0.17 0.0 6-Ring:0/1 * 5-Ring:0/1 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
massetolide A 32 0.22 0.38 0.16 0.0 6-Ring:0/1 * 5-Ring:0/1 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
WLIP 33 0.22 0.38 0.16 0.0 6-Ring:0/1 * 5-Ring:0/1 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 34 0.22 0.38 0.16 0.0 6-Ring:0/1 * 5-Ring:0/1 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
lysobactin 35 0.22 0.38 0.15 0.0 6-Ring:0/1 * 5-Ring:0/1 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
actagardine 36 0.22 0.42 0.13 0.0 6-Ring:0/1 * 5-Ring:0/1 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
Streptomonomicin 37 0.22 0.44 0.12 0.0 6-Ring:0/1 * 5-Ring:0/1 MIBiG Source CCC(C)C(NC(=O)C1CC(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CO)C(=O)NC(CO)C(=O)N2CCCC2C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CC(N)=O)C(=O)N1)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)O)C(C)CC)C(C)C)C(C)CC view Streptomonomicin NH O O NH OH O NH O NH O NH OH O NH OH O N O NH OH O NH H2N O O NH O NH O NH O NH HO O N O NH O NH O NH O NH O NH O NH HO O N O OH
mersacidin 38 0.22 0.43 0.12 0.0 6-Ring:0/1 * 5-Ring:0/1 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
Xenoamicin B 39 0.22 0.43 0.11 0.0 6-Ring:0/1 * 5-Ring:0/1 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
WAP-8294A2 (lotilibcin) 40 0.21 0.38 0.14 0.0 6-Ring:0/1 * 5-Ring:0/1 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
microcin J25 41 0.21 0.38 0.14 0.0 6-Ring:0/1 * 5-Ring:0/1 MIBiG Source CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCC(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N1)C(C)C)C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)O)[C@@H](C)CC)[C@@H](C)O view microcin J25 NH O NH O NH O NH O HO NH O O NH O NH O NH O NH O NH N NH O NH O N O NH O NH O NH O N O NH O NH HO O NH O NH OH O NH O OH HO H
lariatin 42 0.21 0.39 0.13 0.0 6-Ring:0/1 * 5-Ring:0/1 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
bassianolide 43 0.21 0.38 0.13 0.0 6-Ring:0/1 * 5-Ring:0/1 MIBiG Source CC(C)CC1C(=O)OC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)OC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)OC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)OC(C(C)C)C(=O)N1C view bassianolide O O O N O O O N O O O N O O O N
delftibactin B 44 0.21 0.38 0.13 0.0 6-Ring:0/1 * 5-Ring:0/1 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
Xenoamicin A 45 0.21 0.42 0.11 0.0 6-Ring:0/1 * 5-Ring:0/1 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
subtilosin A 46 0.2 0.39 0.11 0.0 6-Ring:0/1 * 5-Ring:0/1 MIBiG Source CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CN)[C@@H](C)O)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)O view subtilosin A NH O NH O O OH NH O N O NH O N O NH O O OH NH O NH O NH O SH NH O NH O NH O NH O NH O OH NH O SH NH O NH O NH O HS NH O NH O NH2 NH O NH2 O NH O NH O NH NH O NH O NH O NH O H2N OH O NH O NH O NH O NH O OH
Valinomycin 47 0.2 0.41 0.1 0.0 6-Ring:0/1 * 5-Ring:0/1 MIBiG Source CC1OC(=O)C(C(C)C)NC(=O)C(C(C)C)OC(=O)C(C(C)C)NC(=O)C(C)OC(=O)C(C(C)C)NC(=O)C(C(C)C)OC(=O)C(C(C)C)NC(=O)C(C)OC(=O)C(C(C)C)NC(=O)C(C(C)C)OC(=O)C(C(C)C)NC1=O view Valinomycin O O NH O O O NH O O O NH O O O NH O O O NH O O O NH O
valinomycin 48 0.2 0.41 0.1 0.0 6-Ring:0/1 * 5-Ring:0/1 MIBiG Source CC(C)[C@@H]1NC(=O)[C@H](C)OC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](C)OC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](C)OC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)OC1=O view valinomycin NH O O O NH O O O NH O O O NH O O O NH O O O NH O O O
SapB 49 0.2 0.44 0.08 0.0 6-Ring:0/1 * 5-Ring:0/1 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

© 2018 Pharmaceutical Bioinformatics