SeMPI 2.0

Uploaded File: None

Record: NZ_AP019620.1

Comment: NZ_AP019620.1 Streptomyces antimycoticus strain NBRC 100767

Change record: 0


Cluster Block Type DB screening Cluster browser Domains Modify scaffold Specificity Smiles Postsynthetic modifications Figure
35 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=CC(O)CC=CC(O)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
10 1 pks-nrps Show Open Show Scaffold Input methylmalonyl * methylmalonyl * methylmalonyl * malonyl * methylmalonyl * methylmalonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * methylmalonyl * malonyl * methylmalonyl * malonyl * methylmalonyl * malonyl * malonyl * F C=C(C)CC(C)C(O)C(C)C=CC=C(C)C(O)C(C)C(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=CCCC(=O)N[C@H](Cc1ccccc1) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:0 OH OH OH OH OH OH OH O OH OH OH OH O NH
48 1 nrps-pks Show Open Show Scaffold Input pip * malonyl * methylmalonyl * methylmalonyl * malonyl * ethylmalonyl * methylmalonyl * methylmalonyl * methylmalonyl * malonyl * malonyl * methylmalonyl * malonyl * malonyl * 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=C Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:0 O N O OH OH OH OH O OH OH OH
11 2 pks Show Open Show Scaffold Input malonyl * malonyl * malonyl * 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)CC=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 O
29 1 nrps Show Open Show Scaffold Input F * P * F * L * G * F * N * D * T * dhb * aad * hpg * T * G C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](C(O)C)C(=O)Oc1c(O)c(ccc1)C(=O)N[C@H](CCCC(=O)O)C(=O)N[C@H](CNc1ccc(O)cc1)C(=O)N[C@H](C(O)C)C(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C1CCCN1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=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 OH O NH OH O O HO O NH O HO O NH NH OH O NH OH O NH O NH O NH NH O NH O NH O NH O NH O NH O H2N O OH
52 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
17 1 nrps Show Open Show Scaffold Input T * orn * F * N * F * V * D * G * V * Y C(=O)N[C@@H](C(O)C)C(=O)N[C@@H](CCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@H](CC(=O)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(=O)O)C(=O)NCC(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O None O NH OH O NH H2N O NH O N O NH2 O NH O NH O NH O HO O NH O N O NH OH O OH
13 1 pks Show Open Show Scaffold Input malonyl * methylmalonyl * malonyl * methylmalonyl * methylmalonyl * methylmalonyl * malonyl * malonyl CC=C(C)C(O)CC(O)C(C)C(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 OH O OH
49 1 pks Show Open Show Scaffold Input malonyl * malonyl * ethylmalonyl * malonyl * methylmalonyl C(=O)CC(O)CCC(CC)C=CC(=O)C(C) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 O OH O
1 1 nrps Show Open Show Scaffold Input V * F * T * T * A N[C@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(O)C)C(=O)N[C@H](C(O)C) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 NH2 O NH O NH O NH HO O NH OH
41 1 nrps-pks Show Open Show Scaffold Input S * malonyl * F N[C@H](CO)C(=O)CN[C@H](Cc1ccccc1) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 NH2 HO O NH
22 1 nrps Show Open Show Scaffold Input F * aad * F N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCC(=O)O)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 O OH O NH
5 1 nrps Show Open Show Scaffold Input S * T * horn N[C@@H](CO)C(=O)N[C@@H](C(O)C)C(=O)N[C@H](CCCNO) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 H2N OH O NH OH O NH NH OH
8 1 nrps Show Open Show Scaffold Input dhb * dhb * F Oc1c(O)c(ccc1)C(=O)Oc1c(O)c(ccc1)N[C@H](Cc1ccccc1) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 OH OH O O OH NH
39 1 pks Show Open Show Scaffold Input methylmalonyl * malonyl * methylmalonyl C(C)C=CC(O)C(C)C(=O)O Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 OH O HO
54 1 nrps Show Open Show Scaffold Input aad * D * F N[C@H](CCCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 NH2 O OH O NH O HO O NH
38 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
12 1 pks-nrps Show Open Show Scaffold Input malonyl * F N[C@H](Cc1ccccc1)CC Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 NH2
36 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
11 1 nrps Show Open Show Scaffold Input L * dhb N[C@H](CC(C)C)C(=O)Oc1c(O)c(ccc1) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:3 * Sphingo:0 * 5-Ring:3 NH2 O O HO
45 3 nrps Show Open Show Scaffold Input F * E N[C@H](Cc1ccccc1)C(=O)N[C@H](CCC(=O)O) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 NH2 O NH O OH
51 1 pks Show Open Show Scaffold Input malonyl * malonyl C(=O)CC(=O)CC(=O)O Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 O O O OH
6 2 nrps Show Open Show Scaffold Input F * dhb N[C@H](Cc1ccccc1)C(=O)Oc1c(O)c(ccc1) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 NH2 O O OH
14 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
14 2 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
15 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
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
25 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
18 1 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
28 1 nrps Show Open Show Scaffold Input F N[C@H](Cc1ccccc1) None H2N
24 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
30 1 nrps Show Open Show Scaffold Input dhb Oc1c(O)c(ccc1) None HO HO
31 1 nrps Show Open Show Scaffold Input F N[C@H](Cc1ccccc1) None H2N
32 1 nrps Show Open Show Scaffold Input aad N[C@H](CCCC(=O)O) None NH2 O OH
53 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
33 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
34 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
23 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
37 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 F N[C@H](Cc1ccccc1) None H2N
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 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
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
43 1 nrps Show Open Show Scaffold Input A N[C@H](C) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 NH2
44 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
44 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
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
45 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
46 1 nrps Show Open Show Scaffold Input F N[C@H](Cc1ccccc1) None H2N
47 1 nrps Show Open Show Scaffold Input dhb Oc1c(O)c(ccc1) None HO HO
21 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 *
55 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
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
50 1 nrps Show Open Show Scaffold Input L C(=O)N[C@H](CC(C)C) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 O NH
3 1 nrps Show Open Show Scaffold Input F N[C@H](Cc1ccccc1) None H2N
4 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
20 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
7 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
19 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
9 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
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
27 1 nrps Show Open Show Scaffold Input F N[C@H](Cc1ccccc1) None H2N
26 1 nrps Show Open Show Scaffold Input L N[C@H](CC(C)C) Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 NH2

© 2018 Pharmaceutical Bioinformatics