Cluster | Block | Type | DB screening | Cluster browser | Domains | Modify scaffold | Specificity | Smiles | Postsynthetic modifications | Figure | |
---|---|---|---|---|---|---|---|---|---|---|---|
6 | 2 | pks | Show | Open | Show | Scaffold Input | malonyl * malonyl * malonyl * malonyl * methylmalonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * methylmalonyl * malonyl * malonyl * methylmalonyl * malonyl * malonyl * malonyl * malonyl | C(=O)CC(O)CC(O)C(C)C=CC=CC=CC=CC=CC=CC=CC(O)CC(O)C(C)C(O)CC(O)CC(O)CCCC(=O)CC=CC(O)CC(O)CC=C(C)C(=O)O | Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:1 | ||
6 | 1 | pks | Show | Open | Show | Scaffold Input | methylmalonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl | C(C)C=CC(O)CC=CCCC=CCCCCCCCCCCCCC(O)CC(O)CC(=O)CC(=O)O | Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:1 | ||
3 | 1 | nrps | Show | Open | Show | Scaffold Input | Y * W * Y * hpg * Y * Y * hpg * F | N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC1=CNC(=C12)C=CC=C2)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CNc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CNc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)O | Glyco:0 * NO2:0 * Cl:1 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
34 | 1 | pks-nrps | Show | Open | Show | Scaffold Input | malonyl * F * methylmalonyl * methylmalonyl * S * T * horn | N[C@@H](CO)C(=O)N[C@@H](C(O)C)C(=O)N[C@H](CCCNO)C=C(C)C=C(C)C(O)CC(=O)N[C@H](Cc1ccccc1) | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
11 | 1 | pks | Show | Open | Show | Scaffold Input | malonyl * malonyl * malonyl * malonyl * malonyl | CC=CC=CC(=O)CC=CCO | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:1 * 5-Ring:0 | ||
20 | 2 | nrps | Show | Open | Show | Scaffold Input | F * F * T * V | C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(O)C)C(=O)N[C@H](C(C)C)C(=O)O | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
4 | 1 | nrps-pks | Show | Open | Show | Scaffold Input | F * malonyl * L | N[C@H](Cc1ccccc1)C(=O)CC(=O)N[C@H](CC(C)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 | F * F * F | N[C@H](Cc1ccccc1)C(=O)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 | ||
13 | 1 | nrps | Show | Open | Show | Scaffold Input | V * W * V | N[C@H](C(C)C)C(=O)N[C@@H](CC1=CNC(=C12)C=CC=C2)C(=O)N[C@H](C(C)C)C(=O)O | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
25 | 1 | 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 | ||
20 | 1 | nrps | Show | Open | Show | Scaffold Input | G * L | C(=O)NCC(=O)N[C@H](CC(C)C)C(=O)O | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
13 | 2 | nrps-pks | Show | Open | Show | Scaffold Input | W * unknown | C(=O)N[C@H](CC1=CNC(=C12)C=CC=C2)C(=O)C(*)C(=O)O | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
18 | 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 | ||
18 | 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 | ||
19 | 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 | ||
21 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
22 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
23 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
24 | 1 | pks | Show | Open | Show | Scaffold Input | unknown | C(=O)C(*) | Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
26 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
27 | 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 | ||
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 | ||
30 | 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 | ||
31 | 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 | ||
31 | 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 | ||
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 | ||
32 | 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 | ||
32 | 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 | ||
32 | 4 | 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 | ||
33 | 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 | ||
35 | 1 | pks | Show | Open | Show | Scaffold Input | malonyl | C=CC(=O)O | Glyco:0 * NO2:0 * Cl:2 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
1 | 1 | nrps | Show | Open | Show | Scaffold Input | dhb | Oc1c(O)c(ccc1) | None | ||
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 | ||
5 | 1 | pks | Show | Open | Show | Scaffold Input | unknown | C(=O)C(*)CO | Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:2 * 5-Ring:1 | ||
7 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
8 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
10 | 1 | nrps | Show | Open | Show | Scaffold Input | dhb | Oc1c(O)c(ccc1) | None | ||
12 | 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 | ||
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 | ||
15 | 1 | nrps | Show | Open | Show | Scaffold Input | A | N[C@H](C) | None | ||
16 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
17 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None |
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