| Cluster | Block | Type | DB screening | Cluster browser | Domains | Modify scaffold | Specificity | Smiles | Postsynthetic modifications | Figure | |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 48 | 1 | pks-nrps | Show | Open | Show | Scaffold Input | malonyl * malonyl * methylmalonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * F * dhb * malonyl | N[C@H](Cc1ccccc1)C(=O)Oc1c(O)c(ccc1)C(=O)CC(O)CC=CC=CC=CC=CC(O)CC(O)C(C)C(O)CC(O)CC(O)CC=CCCC=CC(=O)O | Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| 15 | 1 | pks | Show | Open | Show | Scaffold Input | malonyl * methylmalonyl * methylmalonyl * malonyl * malonyl * methylmalonyl * methylmalonyl * methylmalonyl * malonyl * methylmalonyl * methylmalonyl * methylmalonyl * malonyl | CCC(C)C(O)C(C)C(O)CC=CC(O)C(C)CC(C)C(O)C(C)C=CC(O)C(C)C=C(C)C(O)C(C)C(O)CC(=O)O | Glyco:2 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| 31 | 1 | nrps | Show | Open | Show | Scaffold Input | F * F * D * G * D * F * G * L * F * F | C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N(C)CC(=O)N(C)[C@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)O)C(=O)N(C)CC(=O)N[C@H](CC(=O)O)C(=O)O | Glyco:0 * NO2:0 * Cl:1 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| 4 | 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:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:0 | ||
| 4 | 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:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:0 | ||
| 38 | 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:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| 40 | 1 | nrps | Show | Open | Show | Scaffold Input | V * S * dhb * V * S * V * F | C(=O)N[C@H](C(C)C)C(=O)N[C@H](CO)C(=O)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](Cc1ccccc1)CO | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| 49 | 2 | pks | Show | Open | Show | Scaffold Input | methylmalonyl * malonyl * malonyl * methylmalonyl * malonyl * methylmalonyl | C(C)C=CC=CC=C(C)C(=O)CC=C(C)CO | Glyco:0 * 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 | ||
| 1 | 2 | pks | Show | Open | Show | Scaffold Input | methylmalonyl * malonyl * malonyl * methylmalonyl * malonyl * methylmalonyl | C(C)C=CC=CC=C(C)C(=O)CC=C(C)CO | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| 1 | 1 | nrps-pks | Show | Open | Show | Scaffold Input | G * V * malonyl * S * methylmalonyl | CC(C)C(=O)NCC(=O)N[C@@H](C(C)C)CC(=O)N[C@H](CO) | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| 2 | 1 | pks | Show | Open | Show | Scaffold Input | methylmalonyl * unknown * malonyl * malonyl | C=C(C)C(O)C(*)C=CC(=O)CC(=O)O | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| 30 | 1 | nrps-pks | Show | Open | Show | Scaffold Input | F * unknown * methylmalonyl * methylmalonyl | N[C@H](Cc1ccccc1)C(=O)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 | ||
| 49 | 1 | pks-nrps | Show | Open | Show | Scaffold Input | methylmalonyl * S * G * V | CC(C)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@H](CO) | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| 44 | 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 | ||
| 41 | 1 | nrps | Show | Open | Show | Scaffold Input | dhb * dhb | Oc1c(O)c(ccc1)C(=O)Oc1c(O)c(ccc1) | 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 * 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 | ||
| 32 | 2 | nrps | Show | Open | Show | Scaffold Input | dhb * F | Oc1c(O)c(ccc1)C(=O)N[C@H](Cc1ccccc1) | None | ||
| 45 | 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 | ||
| 46 | 1 | nrps | Show | Open | Show | Scaffold Input | F * F | 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 | ||
| 26 | 1 | nrps | Show | Open | Show | Scaffold Input | A * E | N[C@H](C)C(=O)N[C@H](CCC(=O)O) | None | ||
| 11 | 1 | nrps | Show | Open | Show | Scaffold Input | D * E | N[C@H](CC(=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 | ||
| 32 | 1 | nrps | Show | Open | Show | Scaffold Input | F * F | N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1) | None | ||
| 20 | 1 | nrps | Show | Open | Show | Scaffold Input | F * E | N[C@H](Cc1ccccc1)C(=O)N[C@H](CCC(=O)O) | None | ||
| 3 | 1 | nrps | Show | Open | Show | Scaffold Input | S * P | C(=O)N[C@H](CO)C(=O)N[C@H](C1CCCN1)C(=O)O | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| 34 | 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 | ||
| 34 | 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 | ||
| 36 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
| 37 | 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 | ||
| 39 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | Glyco:2 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| 42 | 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 | ||
| 47 | 1 | nrps | Show | Open | Show | Scaffold Input | Q | N[C@H](CCC(=O)N) | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| 43 | 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 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
| 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 | ||
| 6 | 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 | ||
| 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 | ||
| 8 | 1 | nrps | Show | Open | Show | Scaffold Input | Q | N[C@H](CCC(=O)N) | None | ||
| 9 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
| 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 | ||
| 16 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
| 17 | 1 | nrps | Show | Open | Show | Scaffold Input | dhb | Oc1c(O)c(ccc1) | None | ||
| 18 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
| 19 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
| 21 | 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 | ||
| 22 | 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 | ||
| 22 | 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 | ||
| 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 | ||
| 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 | ||
| 24 | 1 | nrps | Show | Open | Show | Scaffold Input | aad | N[C@H](CCCC(=O)O) | None | ||
| 25 | 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) | 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) | None | ||
| 33 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None |
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