Cluster | Block | Type | DB screening | Cluster browser | Domains | Modify scaffold | Specificity | Smiles | Postsynthetic modifications | Figure | |
---|---|---|---|---|---|---|---|---|---|---|---|
20 | 1 | nrps-pks | Show | Open | Show | Scaffold Input | dhb * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * methylmalonyl * malonyl * malonyl * malonyl * malonyl * malonyl * methylmalonyl * methylmalonyl * malonyl * malonyl * malonyl * malonyl * methylmalonyl | Oc1c(O)c(ccc1)C(O)CC(O)CC=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 | ||
9 | 1 | pks-nrps | Show | Open | Show | Scaffold Input | methylmalonyl * malonyl * malonyl * ethylmalonyl * malonyl * methylmalonyl * methylmalonyl * malonyl * pip * malonyl * methylmalonyl * unknown * 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(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 | ||
40 | 1 | pks | Show | Open | Show | Scaffold Input | malonyl * methylmalonyl * methylmalonyl * malonyl * methylmalonyl * methylmalonyl * malonyl * methylmalonyl * methylmalonyl * methylmalonyl * malonyl * malonyl * malonyl * methylmalonyl * methylmalonyl * malonyl | 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 | ||
15 | 2 | nrps-pks | Show | Open | Show | Scaffold Input | F * F * methylmalonyl * malonyl * methylmalonyl * methylmalonyl * malonyl * malonyl * methylmalonyl * malonyl * ethylmalonyl * methylmalonyl * malonyl * methylmalonyl * methylmalonyl | N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C=C(C)C(=O)CC(O)C(CC)CC(C)CCC=C(C)C=C(C)C=C(C)CCCC(C)C=C(C)C(O)CC=CC(=O)O | Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
7 | 2 | pks | Show | Open | Show | Scaffold Input | methylmalonyl * malonyl * methylmalonyl * methylmalonyl * methylmalonyl * malonyl * methylmalonyl * malonyl * methylmalonyl * malonyl * methylmalonyl * malonyl * methylmalonyl | C(C)C=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 | ||
3 | 2 | nrps-pks | Show | Open | Show | Scaffold Input | F * methylmalonyl * methylmalonyl * malonyl * methylmalonyl * methylmalonyl * methylmalonyl * malonyl * methylmalonyl * methylmalonyl * methylmalonyl * methylmalonyl * methylmalonyl | N[C@H](Cc1ccccc1)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 | ||
3 | 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 | ||
6 | 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 | ||
32 | 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 | ||
12 | 1 | nrps-pks | Show | Open | Show | Scaffold Input | F * methylmalonyl * methylmalonyl * methylmalonyl * methoxymalonyl * malonyl * methylmalonyl | N[C@H](Cc1ccccc1)CC(C)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 | ||
38 | 1 | pks | Show | Open | Show | Scaffold Input | malonyl * methylmalonyl * methylmalonyl * methylmalonyl * malonyl * malonyl | CC=C(C)C(O)C(C)C(O)C(C)C=CC=CC(=O)O | Glyco:2 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
33 | 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 | ||
5 | 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 | ||
7 | 1 | pks-nrps | Show | Open | Show | Scaffold Input | malonyl * malonyl * dhb * F | 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 | ||
3 | 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 | ||
15 | 4 | nrps | Show | Open | Show | Scaffold Input | F * E | N[C@H](Cc1ccccc1)C(=O)N[C@H](CCC(=O)O) | Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
34 | 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 | ||
19 | 1 | nrps | Show | Open | Show | Scaffold Input | F * E | N[C@H](Cc1ccccc1)C(=O)N[C@H](CCC(=O)O) | None | ||
36 | 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 | ||
22 | 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 | ||
23 | 1 | nrps | Show | Open | Show | Scaffold Input | aad | N[C@H](CCCC(=O)O) | None | ||
24 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
25 | 1 | nrps | Show | Open | Show | Scaffold Input | dhb | Oc1c(O)c(ccc1) | None | ||
26 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
27 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
28 | 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 | ||
29 | 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 | ||
30 | 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 | ||
31 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
31 | 2 | nrps | Show | Open | Show | Scaffold Input | dhb | Oc1c(O)c(ccc1) | None | ||
32 | 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 | ||
35 | 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 | ||
37 | 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 | ||
39 | 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 | ||
21 | 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 | ||
40 | 2 | 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 | ||
1 | 1 | nrps | Show | Open | Show | Scaffold Input | V | C(=O)N[C@H](C(C)C) | None | ||
2 | 1 | nrps | Show | Open | Show | Scaffold Input | dhb | Oc1c(O)c(ccc1) | None | ||
2 | 2 | nrps | Show | Open | Show | Scaffold Input | dhb | Oc1c(O)c(ccc1) | None | ||
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 | ||
8 | 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 | ||
10 | 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 | ||
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 | ||
11 | 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 | ||
11 | 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 | ||
13 | 1 | nrps | Show | Open | Show | Scaffold Input | dhb | Oc1c(O)c(ccc1) | None | ||
14 | 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 | ||
15 | 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 | ||
15 | 3 | 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 | ||
15 | 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 | ||
15 | 5 | 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 | ||
16 | 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 | ||
17 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
18 | 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 |
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