| Cluster | Block | Type | DB screening | Cluster browser | Domains | Modify scaffold | Specificity | Smiles | Postsynthetic modifications | Figure | |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 42 | 1 | nrps-pks | Show | Open | Show | Scaffold Input | dhb * 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(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 | ||
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| 16 | 1 | pks-nrps | Show | Open | Show | Scaffold Input | methylmalonyl * methylmalonyl * methylmalonyl * malonyl * methylmalonyl * methylmalonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * methylmalonyl * malonyl * methylmalonyl * malonyl * methylmalonyl * malonyl * methylmalonyl * 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)CC(O)C(C)CCC(O)C(C)C=CC(O)C(C)C(O)CC=C(C)CCC(=O)N[C@H](Cc1ccccc1) | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:1 | ||
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| 29 | 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 | ||
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| 15 | 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)CC(=O)O | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:3 * Sphingo:0 * 5-Ring:3 | ||
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| 9 | 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 | ||
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| 24 | 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 | ||
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| 48 | 1 | nrps | Show | Open | Show | Scaffold Input | W * P * L * G * F * N * T * V * T * G | C(=O)N[C@H](C(O)C)C(=O)N[C@H](C(C)C)C(=O)N[C@H](C(O)C)C(=O)NCC(=O)N[C@H](CC1=CNC(=C12)C=CC=C2)C(=O)N[C@H](C1CCCN1)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 | ||
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| 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:2 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
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| 28 | 1 | pks | Show | Open | Show | Scaffold Input | methylmalonyl * malonyl * malonyl * ethylmalonyl * malonyl * methylmalonyl * malonyl | C=C(C)C(=O)CC(O)CCC(CC)C=CC(=O)C(C)C=C | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
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| 32 | 1 | pks | Show | Open | Show | Scaffold Input | methylmalonyl * methoxymalonyl * methylmalonyl * methylmalonyl * methoxymalonyl * malonyl * methylmalonyl | 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 | ||
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