Cluster | Block | Type | DB screening | Cluster browser | Domains | Modify scaffold | Specificity | Smiles | Postsynthetic modifications | Figure | |
---|---|---|---|---|---|---|---|---|---|---|---|
41 | 1 | pks-nrps | Show | Open | Show | Scaffold Input | malonyl * malonyl * methylmalonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * dhb * malonyl | Oc1c(O)c(ccc1)C(=O)CC(O)CC=CC=CC=CC=CC(O)CC(O)C(C)C(O)CC(O)CC(O)CCCCCC=CC(=O)O | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
3 | 2 | pks | Show | Open | Show | Scaffold Input | malonyl * malonyl * methylmalonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl | C=CC(O)CC(O)C(C)C(O)CC(O)CCCC(O)CC=CC=CC(=O)O | Glyco:1 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:0 | ||
3 | 1 | pks | Show | Open | Show | Scaffold Input | malonyl * methylmalonyl * methylmalonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl | C(=O)CC(O)C(C)C(O)C(C)C=CC=CCCC=CC=CC=CC(=O)O | Glyco:1 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:0 | ||
35 | 1 | nrps | Show | Open | Show | Scaffold Input | V * S * V * S * V * F * dhb | Oc1c(O)c(ccc1)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CO)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(C)C)C(=O)N[C@H](Cc1ccccc1)CO | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
34 | 1 | pks-nrps | Show | Open | Show | Scaffold Input | malonyl * unknown * unknown * unknown * unknown * unknown * F | CC=C(*)C(=O)C(*)C(O)C(*)C(=O)C(*)C=C(*)C(=O)N[C@H](Cc1ccccc1) | Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
14 | 1 | nrps | Show | Open | Show | Scaffold Input | W * V * L * I * orn * N | N[C@H](CC1=CNC(=C12)C=CC=C2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(C)CC)C(=O)N[C@H](CCCN)C(=O)N[C@@H](CC(=O)N) | Glyco:0 * NO2:0 * Cl:1 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
10 | 1 | pks | Show | Open | Show | Scaffold Input | methylmalonyl * methylmalonyl * methylmalonyl * methylmalonyl * methylmalonyl * methylmalonyl | C(C)C(O)C(C)C(O)C(C)C(O)C(C)C(O)C(C)C(O)C(C)C(=O)O | Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
1 | 1 | pks | Show | Open | Show | Scaffold Input | methylmalonyl * malonyl * malonyl * malonyl | C=C(C)C(O)CC=CC(=O)CC(=O)O | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
39 | 1 | nrps-pks | Show | Open | Show | Scaffold Input | F * malonyl * V | N[C@H](Cc1ccccc1)C(O)CC(=O)N[C@H](C(C)C) | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
40 | 1 | nrps | Show | Open | Show | Scaffold Input | F * F * Q | N[C@H](CCC(=O)N)C(=O)N[C@H](Cc1ccccc1)N[C@H](Cc1ccccc1) | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
30 | 1 | nrps | Show | Open | Show | Scaffold Input | F * F | N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1) | None | ||
19 | 1 | nrps | Show | Open | Show | Scaffold Input | A * E | N[C@H](C)C(=O)N[C@H](CCC(=O)O) | None | ||
24 | 1 | nrps | Show | Open | Show | Scaffold Input | A * E | N[C@H](C)C(=O)N[C@H](CCC(=O)O) | None | ||
26 | 1 | nrps-pks | Show | Open | Show | Scaffold Input | dhb * malonyl | Oc1c(O)c(ccc1)C(=O)C | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
9 | 1 | nrps | Show | Open | Show | Scaffold Input | aad * E | N[C@H](CCCC(=O)O)C(=O)N[C@H](CCC(=O)O) | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
30 | 2 | nrps | Show | Open | Show | Scaffold Input | dhb * F | Oc1c(O)c(ccc1)C(=O)N[C@H](Cc1ccccc1) | None | ||
20 | 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 | ||
20 | 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 | ||
21 | 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 | ||
22 | 1 | nrps | Show | Open | Show | Scaffold Input | aad | N[C@H](CCCC(=O)O) | None | ||
23 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
25 | 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 | ||
27 | 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 | ||
28 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
29 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
31 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
32 | 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 | ||
33 | 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 | ||
34 | 2 | nrps | Show | Open | Show | Scaffold Input | N | N[C@H](CC(=O)N) | Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
37 | 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 | ||
38 | 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 | ||
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 | ||
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 | ||
4 | 1 | nrps | Show | Open | Show | Scaffold Input | dhb | Oc1c(O)c(ccc1) | None | ||
5 | 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 | ||
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 | ||
7 | 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 | ||
8 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
11 | 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 | ||
12 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
12 | 2 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
13 | 1 | nrps | Show | Open | Show | Scaffold Input | dhb | Oc1c(O)c(ccc1) | None | ||
15 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
16 | 1 | nrps | Show | Open | Show | Scaffold Input | dhb | Oc1c(O)c(ccc1) | None | ||
17 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
18 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
20 | 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 |
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