Cluster | Block | Type | DB screening | Cluster browser | Domains | Modify scaffold | Specificity | Smiles | Postsynthetic modifications | Figure | |
---|---|---|---|---|---|---|---|---|---|---|---|
7 | 1 | pks-nrps | Show | Open | Show | Scaffold Input | malonyl * A * F * malonyl * methylmalonyl * malonyl * malonyl * malonyl * methylmalonyl * malonyl * malonyl | CC(=O)N[C@H](C)C(=O)N[C@H](Cc1ccccc1)C=CC=C(C)C=CC=CC(O)CC=C(C)C=CC(=O)CC(=O)O | Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
36 | 1 | nrps | Show | Open | Show | Scaffold Input | L * A * V * A * L * orn * T * orn * V * L | N[C@H](CC(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](CC(C)C)C(=O)N[C@@H](CCCN)C(=O)N[C@H](C(O)C)C(=O)N[C@@H](CCCN)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC(C)C) | None | ||
1 | 1 | nrps | Show | Open | Show | Scaffold Input | C * F * A * P * C * L * A * F | N[C@H](CS)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N(C)[C@H](Cc1ccccc1)N[C@H](CS)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@H](C1CCCN1) | None | ||
31 | 1 | pks | Show | Open | Show | Scaffold Input | malonyl * methylmalonyl * methylmalonyl * methylmalonyl * methylmalonyl * methylmalonyl * methylmalonyl | CC=C(C)C(O)C(C)C(O)C(C)CC(C)C(O)C(C)C(O)C(C)C(=O)O | Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
28 | 1 | nrps | Show | Open | Show | Scaffold Input | W * S * N * P * N * F * T | C(=O)N[C@H](CC(=O)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(O)C)C(=O)N[C@@H](CC1=CNC(=C12)C=CC=C2)C(=O)N[C@H](CO)C(=O)N[C@H](CC(=O)N)C(=O)N[C@H](C1CCCN1) | Glyco:0 * NO2:0 * Cl:1 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
44 | 1 | nrps | Show | Open | Show | Scaffold Input | N * S * L * T * N * F | N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)N)C(=O)N[C@H](CO)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C(O)C)C(=O)N[C@H](CC(=O)N)C(=O)O | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
35 | 1 | pks-nrps | Show | Open | Show | Scaffold Input | unknown * F * S * S * A * G | N[C@H](Cc1ccccc1)C(=O)C(*)C(=O)N[C@H](CO)C(=O)N[C@H](CO)C(=O)N[C@H](C)C(=O)NCC(=O)O | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
24 | 1 | pks-nrps | Show | Open | Show | Scaffold Input | methylmalonyl * methylmalonyl * malonyl * C | C(C)CC(C)C(=O)CC(=O)N[C@H](CS)C(=O)O | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
5 | 1 | nrps-pks | Show | Open | Show | Scaffold Input | orn * A * unknown * L | C(=O)N[C@H](CCCN)C(=O)N[C@H](C)C(=O)C(*)C(=O)N[C@H](CC(C)C)C(=O)O | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
45 | 1 | nrps-pks | Show | Open | Show | Scaffold Input | F * unknown | N[C@H](Cc1ccccc1)C(O)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 | A * E | N[C@H](C)C(=O)N[C@H](CCC(=O)O) | None | ||
3 | 1 | nrps | Show | Open | Show | Scaffold Input | dhb * S | Oc1c(O)c(ccc1)C(=O)N[C@H](CO)C(=O)O | None | ||
33 | 1 | nrps | Show | Open | Show | Scaffold Input | F * E | N[C@H](Cc1ccccc1)C(=O)N[C@H](CCC(=O)O) | None | ||
2 | 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 | ||
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 | ||
17 | 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 | ||
20 | 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 | ||
22 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
23 | 1 | nrps | Show | Open | Show | Scaffold Input | dhb | Oc1c(O)c(ccc1) | None | ||
25 | 1 | pks | Show | Open | Show | Scaffold Input | unknown | C(=O)C(*) | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
26 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
27 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
29 | 1 | nrps | Show | Open | Show | Scaffold Input | F | C(=O)N[C@H](Cc1ccccc1)C(=O)O | 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 | ||
32 | 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 | ||
34 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
37 | 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 | ||
38 | 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 | ||
39 | 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 | ||
40 | 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 | ||
41 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | Glyco:0 * NO2:0 * Cl:1 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
42 | 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 | ||
21 | 1 | nrps | Show | Open | Show | Scaffold Input | dhb | Oc1c(O)c(ccc1) | None | ||
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 | ||
4 | 2 | 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 | ||
6 | 1 | 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 | ||
8 | 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 | ||
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) | None | ||
10 | 2 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | 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) | None | ||
13 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
14 | 1 | pks | Show | Open | Show | Scaffold Input | unknown | C(=O)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 | F | N[C@H](Cc1ccccc1) | None |
© 2018 Pharmaceutical Bioinformatics