| Cluster | Block | Type | DB screening | Cluster browser | Domains | Modify scaffold | Specificity | Smiles | Postsynthetic modifications | Figure | |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 30 | 2 | pks-nrps | Show | Open | Show | Scaffold Input | malonyl * malonyl * malonyl * methylmalonyl * methylmalonyl * malonyl * malonyl * methylmalonyl * methylmalonyl * malonyl * malonyl * malonyl * malonyl * F | N[C@H](Cc1ccccc1)C(O)CC=CC(O)CCC(C)C=C(C)C=CCCCC(C)C=C(C)C(O)CC(=O)CC=CCC | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:1 | ||
| |||||||||||
| 3 | 1 | nrps | Show | Open | Show | Scaffold Input | hpg * F * V * W * F * hpg * F * Y * F * F | N[C@H](CNc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CNC(=C12)C=CC=C2)C(=O)N[C@@H](Cc1ccccc1)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](Cc1ccccc1)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 | ||
| |||||||||||
| 29 | 1 | nrps-pks | Show | Open | Show | Scaffold Input | L * malonyl * T * T * V | N[C@H](C(O)C)C(=O)N[C@H](C(O)C)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)C | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| |||||||||||
| 1 | 1 | pks-nrps | Show | Open | Show | Scaffold Input | methylmalonyl * malonyl * S * G * V | CC(C)C(=O)CC(=O)N[C@H](CO)C(=O)NCC(=O)N[C@@H](C(C)C) | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| |||||||||||
| 30 | 1 | pks | Show | Open | Show | Scaffold Input | malonyl * unknown * unknown * unknown | CC(=O)C(*)C(=O)C(*)C(=O)C(*)C(=O)O | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:1 | ||
| |||||||||||
| 8 | 1 | nrps | Show | Open | Show | Scaffold Input | F * F | N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1) | None | ||
| |||||||||||
| 5 | 1 | nrps | Show | Open | Show | Scaffold Input | W * K | C(=O)N[C@H](CC1=CNC(=C12)C=CC=C2)C(=O)N[C@H](CCCCN)CO | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
| |||||||||||
| 9 | 1 | nrps | Show | Open | Show | Scaffold Input | dhb | Oc1c(O)c(ccc1) | None | ||
| |||||||||||
| 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 | F | N[C@H](Cc1ccccc1) | None | ||
| |||||||||||
© 2018 Pharmaceutical Bioinformatics
