Cluster | Block | Type | DB screening | Cluster browser | Domains | Modify scaffold | Specificity | Smiles | Postsynthetic modifications | Figure | |
---|---|---|---|---|---|---|---|---|---|---|---|
28 | 1 | nrps | Show | Open | Show | Scaffold Input | W * S * horn * F | C(=O)N[C@H](CC1=CNC(=C12)C=CC=C2)C(=O)N[C@H](CO)C(=O)N[C@H](CCCNO)C(=O)N[C@H](Cc1ccccc1) | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
24 | 1 | nrps | Show | Open | Show | Scaffold Input | dhb * F * A * G | Oc1c(O)c(ccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)NCC(=O)O | Glyco:0 * NO2:0 * Cl:1 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
3 | 1 | pks-nrps | Show | Open | Show | Scaffold Input | malonyl * malonyl * dhb | Oc1c(O)c(ccc1)C(=O)CC(=O)CC(=O)O | Glyco:0 * NO2:0 * Cl:2 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
26 | 1 | nrps-pks | Show | Open | Show | Scaffold Input | F * F * unknown | N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(*) | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
21 | 1 | pks-nrps | Show | Open | Show | Scaffold Input | unknown * F | N[C@H](Cc1ccccc1)C(=O)C(*) | Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
25 | 1 | nrps | Show | Open | Show | Scaffold Input | F * E | N[C@H](Cc1ccccc1)C(=O)N[C@H](CCC(=O)O) | None | ||
22 | 1 | nrps | Show | Open | Show | Scaffold Input | F * F | N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1) | None | ||
9 | 1 | nrps | Show | Open | Show | Scaffold Input | L * E | N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)O) | None | ||
5 | 1 | nrps | Show | Open | Show | Scaffold Input | F | C(=O)N[C@H](Cc1ccccc1)CO | Glyco:0 * NO2:0 * Cl:1 * 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 | ||
7 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
8 | 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 | ||
8 | 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 | ||
10 | 1 | nrps | Show | Open | Show | Scaffold Input | dhb | Oc1c(O)c(ccc1) | None | ||
11 | 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) | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
12 | 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 | ||
12 | 3 | 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 | ||
13 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
14 | 1 | nrps | Show | Open | Show | Scaffold Input | V | N[C@H](C(C)C) | None | ||
15 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
16 | 1 | nrps | Show | Open | Show | Scaffold Input | Q | N[C@H](CCC(=O)N) | None | ||
17 | 1 | nrps | Show | Open | Show | Scaffold Input | S | N[C@H](CO) | None | ||
18 | 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 | ||
18 | 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 | ||
19 | 1 | nrps | Show | Open | Show | Scaffold Input | dhb | Oc1c(O)c(ccc1) | None | ||
20 | 1 | nrps | Show | Open | Show | Scaffold Input | dhb | Oc1c(O)c(ccc1) | None | ||
23 | 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 | ||
24 | 2 | nrps | Show | Open | Show | Scaffold Input | C | C(=O)N[C@H](CS)C(=O)O | Glyco:0 * NO2:0 * Cl:1 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
27 | 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 | dhb | Oc1c(O)c(ccc1) | None | ||
1 | 1 | nrps | Show | Open | Show | Scaffold Input | dhb | Oc1c(O)c(ccc1) | None | ||
30 | 1 | nrps | Show | Open | Show | Scaffold Input | S | C(=O)N[C@H](CO)C(=O)O | None | ||
2 | 2 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
2 | 4 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
2 | 1 | nrps | Show | Open | Show | Scaffold Input | dhb | Oc1c(O)c(ccc1) | None | ||
2 | 3 | nrps | Show | Open | Show | Scaffold Input | dhb | Oc1c(O)c(ccc1) | None | ||
3 | 2 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | Glyco:0 * NO2:0 * Cl:2 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
3 | 3 | nrps | Show | Open | Show | Scaffold Input | C | C(=O)N[C@H](CS)C(=O)O | Glyco:0 * NO2:0 * Cl:2 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
4 | 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 |
© 2018 Pharmaceutical Bioinformatics