| Cluster | Block | Type | DB screening | Cluster browser | Domains | Modify scaffold | Specificity | Smiles | Postsynthetic modifications | Figure | |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 2 | 1 | pks | Show | Open | Show | Scaffold Input | methylmalonyl * malonyl * methylmalonyl * malonyl * methylmalonyl * malonyl * malonyl * methylmalonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * methylmalonyl * methylmalonyl * methylmalonyl | C(C)CCC=C(C)CCC=C(C)CCC(O)CC(O)C(C)C=CC=CC=CCCCCC=CC(O)CC(=O)C(C)CC(C)CC(C)C(=O)O | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:1 | ||
| 21 | 1 | pks | Show | Open | Show | Scaffold Input | methylmalonyl * methylmalonyl * methylmalonyl * methylmalonyl * malonyl * methylmalonyl * malonyl * methylmalonyl * malonyl | C(C)C=C(C)C(O)C(C)C=C(C)C=CCC(C)C=CC(=O)C(C)C(=O)CC(=O)O | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| 14 | 1 | pks | Show | Open | Show | Scaffold Input | methylmalonyl * methylmalonyl * malonyl * malonyl * malonyl | C(C)C=C(C)C=CC=CC=C | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| 15 | 1 | nrps | Show | Open | Show | Scaffold Input | L * F * F * F | N[C@H](Cc1ccccc1)N[C@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | None | ||
| 14 | 3 | nrps-pks | Show | Open | Show | Scaffold Input | F * malonyl * methylmalonyl * malonyl | N[C@H](Cc1ccccc1)C=CC=C(C)C(=O)C | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| 17 | 1 | pks | Show | Open | Show | Scaffold Input | malonyl * malonyl * malonyl | CC=CC=C | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| 21 | 2 | nrps | Show | Open | Show | Scaffold Input | V * P | N[C@H](C(C)C)C(=O)N[C@H](C1CCCN1)CO | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| 3 | 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 | ||
| 5 | 1 | pks | Show | Open | Show | Scaffold Input | malonyl * malonyl | C(=O)CC=CCO | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| 13 | 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 | ||
| 10 | 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 | 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 | ||
| 12 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
| 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 | ||
| 8 | 1 | nrps | Show | Open | Show | Scaffold Input | Q | N[C@H](CCC(=O)N) | None | ||
| 7 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
| 14 | 2 | nrps | Show | Open | Show | Scaffold Input | A | N[C@H](C) | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| 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 | ||
| 16 | 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 | ||
| 18 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
| 19 | 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 | ||
| 20 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
| 4 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
| 9 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None |
© 2018 Pharmaceutical Bioinformatics
