| Cluster | Block | Type | DB screening | Cluster browser | Domains | Modify scaffold | Specificity | Smiles | Postsynthetic modifications | Figure | |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 35 | 2 | pks | Show | Open | Show | Scaffold Input | methylmalonyl * methylmalonyl * malonyl * malonyl * malonyl * malonyl * methylmalonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * methylmalonyl | C(C)C(O)C(C)C=CC(O)CC(O)CC(O)CC=C(C)C(O)CC=CC=CC=CC(O)CC(O)CC=CC=CC=CC=CC=C(C)C(=O)O | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:0 | ||
| 20 | 2 | nrps | Show | Open | Show | Scaffold Input | dhb * F * P * S * D * P * F * F * P * F * G * P * G | Oc1c(O)c(ccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C1CCCN1)C(=O)N[C@H](CO)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](C1CCCN1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C1CCCN1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C1CCCN1)C(=O)NCC(=O)O | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| 40 | 1 | pks | Show | Open | Show | Scaffold Input | methylmalonyl * ethylmalonyl * methylmalonyl * methylmalonyl * methylmalonyl * ethylmalonyl * methylmalonyl * methylmalonyl * methylmalonyl * ethylmalonyl * malonyl | C(C)C=C(CC)CC(C)C=C(C)CC(C)C(O)C(CC)C=C(C)C(O)C(C)C=C(C)CC(CC)C(=O)CC(=O)O | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| 5 | 1 | nrps | Show | Open | Show | Scaffold Input | D * S * T * T * S * G * P * W * W * L * P | C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CO)C(=O)N[C@H](C(O)C)C(=O)N[C@@H](C(O)C)C(=O)N[C@H](CO)C(=O)NCC(=O)N[C@H](C1CCCN1)C(=O)N[C@H](CC1=CNC(=C12)C=CC=C2)C(=O)N[C@@H](CC1=CNC(=C12)C=CC=C2)C(=O)N[C@H](CC(C)C)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 | ||
| 36 | 1 | nrps | Show | Open | Show | Scaffold Input | F * hpg * W * L * hpg * F * Y * hpg * F | N[C@H](Cc1ccccc1)C(=O)N[C@H](CNc1ccc(O)cc1)C(=O)N[C@@H](CC1=CNC(=C12)C=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CNc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[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 | ||
| 6 | 2 | nrps | Show | Open | Show | Scaffold Input | T * A * W * A * V * F * G * W * P | N(C)[C@H](C(O)C)C(=O)N[C@H](C)C(=O)N[C@H](CC1=CNC(=C12)C=CC=C2)C(=O)N[C@H](C)C(=O)N(C)[C@H](C(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](CC1=CNC(=C12)C=CC=C2)C(=O)N[C@H](C1CCCN1)C(=O)O | None | ||
| 27 | 1 | nrps | Show | Open | Show | Scaffold Input | V * S * V * V * V * S | 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](C(C)C)C(=O)N[C@H](C(C)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 | ||
| 7 | 1 | nrps | Show | Open | Show | Scaffold Input | F * F * V * G * A | N[C@H](Cc1ccccc1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCC(=O)N[C@H](C)C(=O)O | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| 10 | 1 | pks | Show | Open | Show | Scaffold Input | malonyl * methylmalonyl * malonyl * methylmalonyl * malonyl | C(O)CC=C(C)C(=O)CC=C(C)C=C | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| 4 | 1 | nrps | Show | Open | Show | Scaffold Input | F * V * dhb * F * V | C(=O)N[C@H](C(C)C)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)Oc1c(O)c(ccc1)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 | ||
| 8 | 1 | nrps-pks | Show | Open | Show | Scaffold Input | E * A * hpg * methylmalonyl | N[C@H](CNc1ccc(O)cc1)C(=O)C(C)N[C@H](CCC(=O)O)C(=O)N[C@H](C) | Glyco:0 * NO2:0 * Cl:1 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| 32 | 2 | nrps | Show | Open | Show | Scaffold Input | S * P * F | N[C@H](Cc1ccccc1)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 | ||
| 2 | 2 | nrps-pks | Show | Open | Show | Scaffold Input | V * P * unknown | N[C@H](C(C)C)C(=O)N[C@H](C1CCCN1)C(O)C(*)C(=O)O | 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 * F | N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1) | None | ||
| 33 | 1 | nrps | Show | Open | Show | Scaffold Input | F * E | N[C@H](Cc1ccccc1)C(=O)N[C@H](CCC(=O)O) | None | ||
| 14 | 1 | pks-nrps | Show | Open | Show | Scaffold Input | malonyl * L | CC(=O)N[C@H](CC(C)C) | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| 16 | 1 | nrps | Show | Open | Show | Scaffold Input | A * E | N[C@H](C)C(=O)N[C@H](CCC(=O)O) | None | ||
| 17 | 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 | orn * T | C(=O)N[C@H](CCCN)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 | ||
| 32 | 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 | ||
| 38 | 2 | nrps | Show | Open | Show | Scaffold Input | dhb * F | Oc1c(O)c(ccc1)C(=O)N[C@H](Cc1ccccc1) | None | ||
| 15 | 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 | ||
| 39 | 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 | ||
| 1 | 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 | ||
| 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 | ||
| 6 | 1 | nrps | Show | Open | Show | Scaffold Input | F | C(=O)N[C@H](Cc1ccccc1) | None | ||
| 41 | 1 | nrps | Show | Open | Show | Scaffold Input | V | N[C@H](C(C)C) | 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) | 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 | ||
| 23 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
| 24 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
| 25 | 1 | nrps | Show | Open | Show | Scaffold Input | A | C(=O)N[C@H](C)C(=O)O | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| 26 | 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 | ||
| 28 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
| 29 | 1 | nrps | Show | Open | Show | Scaffold Input | dhb | Oc1c(O)c(ccc1) | 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 | ||
| 30 | 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 | pks | Show | Open | Show | Scaffold Input | unknown | C(=O)C(*) | Glyco:0 * NO2:0 * Cl:1 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| 3 | 1 | nrps | Show | Open | Show | Scaffold Input | N | C(=O)N[C@H](CC(=O)N)C(=O)O | None | ||
| 42 | 1 | pks | Show | Open | Show | Scaffold Input | malonyl | C=CC(=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 | dhb | Oc1c(O)c(ccc1) | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| 3 | 2 | nrps | Show | Open | Show | Scaffold Input | F | C(=O)N[C@H](Cc1ccccc1)C(=O)O | None | ||
| 35 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:0 | ||
| 37 | 1 | nrps | Show | Open | Show | Scaffold Input | orn | C(=O)N[C@H](CCCN)C(=O)O | None | ||
| 2 | 1 | nrps | Show | Open | Show | Scaffold Input | F | 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 | ||
| 15 | 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 | ||
| 9 | 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 | 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 | ||
| 12 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
| 13 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
| 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 |
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