| Cluster | Block | Type | DB screening | Cluster browser | Domains | Modify scaffold | Specificity | Smiles | Postsynthetic modifications | Figure | |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 27 | 1 | pks-nrps | Show | Open | Show | Scaffold Input | malonyl * malonyl * methylmalonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * methylmalonyl * methylmalonyl * methylmalonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * dhb * malonyl | Oc1c(O)c(ccc1)C(=O)CC(O)C(C)CC(C)C=C(C)C=CC=CC=CC=CC=CC=CC=CC(O)CC(O)C(C)C(O)CC(O)CC(O)CCCCCC(O)CCCC=CC(=O)O | Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:0 | ||
| |||||||||||
| 17 | 1 | nrps | Show | Open | Show | Scaffold Input | V * A * V * V * W * W * L * V * T * A * L * V * A * V * A * V * F * L | N[C@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)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](C(C)C)C(=O)N[C@H](C(O)C)C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(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](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C) | None | ||
| |||||||||||
| 29 | 1 | nrps-pks | Show | Open | Show | Scaffold Input | G * unknown * malonyl * unknown * unknown * unknown * malonyl | NCC(=O)C(*)C=CC(=O)C(*)C(O)C(*)C(=O)C(*)C=CC(=O)O | 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 * L * V * F * T * T | C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(O)C)C(=O)N[C@@H](C(O)C) | None | ||
| |||||||||||
| 3 | 1 | nrps-pks | Show | Open | Show | Scaffold Input | F * unknown * A * T * V | N[C@H](Cc1ccccc1)C(=O)C(*)C(=O)N[C@H](C)C(=O)N[C@H](C(O)C)C(=O)N[C@H](C(C)C) | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| |||||||||||
| 28 | 1 | nrps-pks | Show | Open | Show | Scaffold Input | F * malonyl * malonyl * P | N[C@H](Cc1ccccc1)CC(=O)N[C@H](C1CCCN1)C(=O)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 | orn * orn * horn | C(=O)N[C@H](CCCN)C(=O)N[C@H](CCCN)C(=O)N[C@H](CCCNO)C(=O)O | None | ||
| |||||||||||
| 8 | 1 | nrps | Show | Open | Show | Scaffold Input | F * F | N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1) | None | ||
| |||||||||||
| 4 | 1 | pks-nrps | Show | Open | Show | Scaffold Input | malonyl * orn | C=CC(=O)N[C@H](CCCN)C(=O)O | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| |||||||||||
| 2 | 1 | nrps | Show | Open | Show | Scaffold Input | F * F | N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)CO | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| |||||||||||
© 2018 Pharmaceutical Bioinformatics
