SeMPI 2.0

Uploaded File: None

Record: NZ_CP025018.1

Comment: NZ_CP025018.1 Streptomyces sp. M56

Change record: 0


Cluster Block Type DB screening Cluster browser Domains Modify scaffold Specificity Smiles Postsynthetic modifications Figure
44 1 nrps-pks Show Open Show Scaffold Input pip * malonyl * methylmalonyl * methylmalonyl * malonyl * ethylmalonyl * methylmalonyl * methylmalonyl * methylmalonyl * malonyl * malonyl * methylmalonyl * malonyl * malonyl * methylmalonyl * malonyl * methylmalonyl * malonyl * malonyl * ethylmalonyl * malonyl * methylmalonyl * methylmalonyl * malonyl C(=O)N1[C@H](CCC1)C(=O)CC(O)C(C)C=C(C)C(O)CC=C(CC)C(O)C(C)CC(C)C=C(C)C(O)CC(O)CC(O)C(C)C(O)CC(O)CCC(C)C=CC=C(C)C(=O)CC(O)CCC(CC)C=CCC(C)C(=O)C(C)C=C Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:0 O N O OH OH OH OH OH OH OH OH O OH O
32 1 pks-nrps Show Open Show Scaffold Input malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * methylmalonyl * malonyl * malonyl * malonyl * malonyl * malonyl * methylmalonyl * methylmalonyl * malonyl * malonyl * malonyl * malonyl * methylmalonyl * dhb Oc1c(O)c(ccc1)C(O)CC(O)CC(O)CC(O)CC=CC(O)CC=CC(O)CC=CC(O)C(C)C(O)CC=CC=CC=CC=CC(O)C(C)C(O)C(C)C=CCCC=CC=CC=C(C)C(=O)O Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:0 OH OH OH OH OH OH OH OH OH OH OH OH O OH
11 1 pks-nrps Show Open Show Scaffold Input methylmalonyl * methylmalonyl * malonyl * methylmalonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * methylmalonyl * malonyl * methylmalonyl * malonyl * methylmalonyl * malonyl * methylmalonyl * malonyl * F CCC(=O)N[C@H](Cc1ccccc1)C=C(C)C(O)C(C)C=CC=C(C)C(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(=O)CC(O)C(C)CCC(O)C(C)C(O)CC(O)C(C)C=CC=C(C)C(=O)O Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:0 O NH OH OH OH OH OH OH OH O OH OH OH OH O OH
12 2 pks Show Open Show Scaffold Input malonyl * malonyl * malonyl * methylmalonyl * methylmalonyl * malonyl * malonyl * methylmalonyl * methylmalonyl * malonyl * methylmalonyl * methylmalonyl * malonyl * methylmalonyl * methylmalonyl * methylmalonyl CC(=O)C(C)CC(C)C=CCC(C)C=C(C)CCC=C(C)CC(C)C(O)C(C)C(O)CC(O)CC(O)CCC(C)C=C(C)C(O)C Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:3 * Sphingo:0 * 5-Ring:3 O OH OH OH OH OH
38 1 pks-nrps Show Open Show Scaffold Input methylmalonyl * malonyl * ethylmalonyl * methylmalonyl * methylmalonyl * methylmalonyl * methylmalonyl * methylmalonyl * malonyl * methylmalonyl * methylmalonyl * methylmalonyl * malonyl * F * F N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C=C(C)C(=O)CC(O)C(CC)CC(C)CC(C)C=C(C)C=C(C)C=C(C)CCCC(C)C=C(C)C=C(C)C=CC(=O)O Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 H2N O NH O OH O OH
46 2 pks Show Open Show Scaffold Input methylmalonyl * malonyl * methylmalonyl * methylmalonyl * methylmalonyl * malonyl * methylmalonyl * malonyl * methylmalonyl * malonyl * methylmalonyl * malonyl * methylmalonyl C(C)C(O)CC(=O)C(C)CC(C)C(O)C(C)C(O)CC=C(C)C(O)CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 OH O OH OH OH O OH
50 2 nrps-pks Show Open Show Scaffold Input A * methylmalonyl * methylmalonyl * malonyl * methylmalonyl * methylmalonyl * methylmalonyl * malonyl * methylmalonyl * methylmalonyl * methylmalonyl * methylmalonyl * methylmalonyl N[C@H](C)C(=O)C(C)C=C(C)C(O)CC(O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)CC(C)C(O)C(C)C=C(C)C=C(C)C(=O)O Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:0 NH2 O OH OH OH OH OH O OH
10 1 nrps Show Open Show Scaffold Input D * D * dhb * pip * G * D * G * D * G * T * V * P N[C@H](CC(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)Oc1c(O)c(ccc1)C(=O)N1[C@@H](CCC1)C(=O)NCC(=O)N[C@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](C(O)C)C(=O)N[C@H](C(C)C)C(=O)N[C@H](C1CCCN1)C(=O)O None NH2 O OH O NH O HO O O OH O N O NH O NH O OH O NH O NH O OH O NH O NH OH O NH O NH NH O OH
50 3 nrps-pks Show Open Show Scaffold Input F * methylmalonyl * malonyl * methylmalonyl * malonyl * methylmalonyl * methylmalonyl * methylmalonyl * malonyl * malonyl * methylmalonyl * methylmalonyl C(C)C(O)C(C)C(O)CC(O)CC=C(C)C=C(C)N[C@H](Cc1ccccc1)C=C(C)C(O)CCC(C)C=CC=C(C)C(=O)O Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:0 OH OH OH NH HO O HO
3 1 nrps-pks Show Open Show Scaffold Input P * F * methylmalonyl * malonyl * malonyl * malonyl * pip * methylmalonyl * methylmalonyl * malonyl * methylmalonyl * malonyl C(=O)N[C@H](C1CCCN1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1[C@H](CCC1)CC(C)C=C(C)C=CCC(C)C(=O)CCC(C)C=CC=CC=C Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 O NH NH O NH O N O
8 1 nrps-pks Show Open Show Scaffold Input T * F * dhb * hpg * V * S * malonyl * methylmalonyl * methylmalonyl * methylmalonyl * methylmalonyl * malonyl CC=C(C)C(O)C(C)CC(C)CC(C)C(O)CC(=O)N[C@H](C(O)C)C(=O)N[C@H](Cc1ccccc1)C(=O)Oc1c(O)c(ccc1)C(=O)N[C@H](CNc1ccc(O)cc1)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CO)C(=O)O Glyco:0 * NO2:0 * Cl:2 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 OH OH O NH HO O NH O O OH O NH NH HO O NH O NH OH O OH
47 1 nrps Show Open Show Scaffold Input L * A * V * A * L * orn * T * orn * V * L N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCN)C(=O)N[C@H](C(O)C)C(=O)N[C@@H](CCCN)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC(C)C) None NH2 O NH O NH O NH O NH O NH H2N O NH OH O NH NH2 O NH O NH
41 1 pks-nrps Show Open Show Scaffold Input methylmalonyl * methoxymalonyl * methylmalonyl * methylmalonyl * methoxymalonyl * malonyl * methylmalonyl * F N[C@H](Cc1ccccc1)CC(C)CC(COC)C(O)C(C)C=C(C)C(O)C(COC)CCC=C(C) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 NH2 O OH OH O
21 1 pks-nrps Show Open Show Scaffold Input unknown * T * L * S * D * A * S C(=O)C(*)C(=O)N[C@H](C(O)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)O Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 O * O NH OH O NH O NH OH O NH O OH O NH O NH HO O OH
14 1 pks Show Open Show Scaffold Input malonyl * methylmalonyl * malonyl * methylmalonyl * methylmalonyl * malonyl * malonyl CC=C(C)C(O)CC(O)C(C)C(O)C(C)C=CC=CC(=O)O Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 OH OH OH O OH
5 1 nrps Show Open Show Scaffold Input A * S * L * V * F * N C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)N)C(=O)O Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 O NH O NH OH O NH O NH O NH O NH O NH2 O OH
48 1 nrps-pks Show Open Show Scaffold Input F * malonyl * L * P * F C(=O)N[C@H](Cc1ccccc1)C(O)CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C1CCCN1)C(=O)N[C@H](Cc1ccccc1)C(=O)O Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 O NH OH O NH O NH NH O NH O OH
20 1 pks Show Open Show Scaffold Input methylmalonyl * methylmalonyl * methylmalonyl * methylmalonyl * methylmalonyl C(C)C(=O)C(C)C(O)C(C)CC(C)C(=O)C(C)C(=O)O Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 O OH O O OH
46 1 nrps-pks Show Open Show Scaffold Input dhb * F * malonyl * malonyl Oc1c(O)c(ccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)CC(=O)CC(=O)O Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 OH OH O NH O O O OH
4 1 nrps-pks Show Open Show Scaffold Input F * unknown * unknown * malonyl N[C@H](Cc1ccccc1)C(=O)C(*)C(O)C(*)C=C Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 NH2 O * OH *
1 1 nrps Show Open Show Scaffold Input V * T * G * A N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(O)C)C(=O)NCC(=O)O Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 NH2 O NH O NH OH O NH O HO
7 1 nrps Show Open Show Scaffold Input A * T * horn N[C@@H](C)C(=O)N[C@@H](C(O)C)C(=O)N[C@H](CCCNO) None NH2 O NH OH O NH NH HO
50 1 pks Show Open Show Scaffold Input methylmalonyl * malonyl * methylmalonyl C(C)C=CC(O)C(C)C(=O)O Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:0 OH O HO
51 1 nrps Show Open Show Scaffold Input F * C * C N[C@H](Cc1ccccc1)C(=O)N[C@H](CS)C(=O)N[C@H](CS)C(=O)O Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 NH2 O NH SH O NH SH O HO
19 1 nrps Show Open Show Scaffold Input F * F N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 NH2 O NH
33 1 nrps Show Open Show Scaffold Input F * E N[C@H](Cc1ccccc1)C(=O)N[C@H](CCC(=O)O) None NH2 O NH O OH
36 1 nrps Show Open Show Scaffold Input F N[C@H](Cc1ccccc1) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 H2N
37 1 nrps Show Open Show Scaffold Input F N[C@H](Cc1ccccc1) None H2N
38 2 nrps Show Open Show Scaffold Input F N[C@H](Cc1ccccc1) Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 H2N
38 4 nrps Show Open Show Scaffold Input F N[C@H](Cc1ccccc1) Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 H2N
38 5 nrps Show Open Show Scaffold Input F N[C@H](Cc1ccccc1) Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 H2N
38 6 nrps Show Open Show Scaffold Input F N[C@H](Cc1ccccc1) Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 H2N
38 3 nrps Show Open Show Scaffold Input aad N[C@H](CCCC(=O)O) Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 NH2 O OH
39 1 pks Show Open Show Scaffold Input malonyl C Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 CH4
40 1 nrps Show Open Show Scaffold Input dhb Oc1c(O)c(ccc1) None HO HO
42 1 nrps Show Open Show Scaffold Input F N[C@H](Cc1ccccc1) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 H2N
42 3 nrps Show Open Show Scaffold Input F N[C@H](Cc1ccccc1) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 H2N
42 2 nrps Show Open Show Scaffold Input dhb Oc1c(O)c(ccc1) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 HO HO
43 1 nrps Show Open Show Scaffold Input F N[C@H](Cc1ccccc1) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 H2N
45 1 nrps Show Open Show Scaffold Input F N[C@H](Cc1ccccc1) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 H2N
49 1 nrps Show Open Show Scaffold Input F N[C@H](Cc1ccccc1) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 H2N
51 2 nrps Show Open Show Scaffold Input dhb Oc1c(O)c(ccc1) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 HO HO
52 1 nrps Show Open Show Scaffold Input dhb Oc1c(O)c(ccc1) None HO HO
53 1 nrps Show Open Show Scaffold Input F N[C@H](Cc1ccccc1) None H2N
54 1 nrps Show Open Show Scaffold Input aad C(=O)N[C@H](CCCC(=O)O) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 O NH O OH
18 1 pks Show Open Show Scaffold Input unknown C(=O)C(*) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 O *
28 1 nrps Show Open Show Scaffold Input F N[C@H](Cc1ccccc1) None H2N
1 2 nrps Show Open Show Scaffold Input F N[C@H](Cc1ccccc1) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 H2N
2 1 nrps Show Open Show Scaffold Input F N[C@H](Cc1ccccc1) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 H2N
3 2 nrps Show Open Show Scaffold Input F N[C@H](Cc1ccccc1) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 H2N
6 1 nrps Show Open Show Scaffold Input F N[C@H](Cc1ccccc1) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 H2N
8 2 nrps Show Open Show Scaffold Input F N[C@H](Cc1ccccc1) Glyco:0 * NO2:0 * Cl:2 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 H2N
9 1 nrps Show Open Show Scaffold Input F N[C@H](Cc1ccccc1) None H2N
12 1 nrps Show Open Show Scaffold Input F N[C@H](Cc1ccccc1) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:3 * Sphingo:0 * 5-Ring:3 H2N
13 1 pks Show Open Show Scaffold Input methylmalonyl CC(C) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0
15 1 nrps Show Open Show Scaffold Input F N[C@H](Cc1ccccc1) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 H2N
16 1 pks Show Open Show Scaffold Input malonyl CC(C) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0
17 1 nrps Show Open Show Scaffold Input F N[C@H](Cc1ccccc1) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 H2N
21 2 nrps Show Open Show Scaffold Input T C(=O)N[C@H](C(O)C)C(=O)O Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 O NH OH O OH
22 1 nrps Show Open Show Scaffold Input aad N[C@H](CCCC(=O)O) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 NH2 O OH
23 1 nrps Show Open Show Scaffold Input F N[C@H](Cc1ccccc1) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 H2N
24 1 nrps Show Open Show Scaffold Input dhb Oc1c(O)c(ccc1) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 HO HO
25 1 nrps Show Open Show Scaffold Input F N[C@H](Cc1ccccc1) None H2N
26 1 nrps Show Open Show Scaffold Input F N[C@H](Cc1ccccc1) None H2N
27 1 nrps Show Open Show Scaffold Input dhb Oc1c(O)c(ccc1) None HO HO
29 1 nrps Show Open Show Scaffold Input aad N[C@H](CCCC(=O)O) None NH2 O OH
30 1 nrps Show Open Show Scaffold Input S C(=O)N[C@H](CO)C(=O)O Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 O NH HO O OH
31 1 pks Show Open Show Scaffold Input malonyl C(=O)C Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 O
34 1 pks Show Open Show Scaffold Input malonyl C Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 CH4
35 1 nrps Show Open Show Scaffold Input F N[C@H](Cc1ccccc1) None H2N

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