Cluster | Block | Type | DB screening | Cluster browser | Domains | Modify scaffold | Specificity | Smiles | Postsynthetic modifications | Figure | |
---|---|---|---|---|---|---|---|---|---|---|---|
6 | 1 | pks-nrps | Show | Open | Show | Scaffold Input | unknown * unknown * T * T * methylmalonyl * methylmalonyl * methylmalonyl * unknown * G * unknown * unknown * methylmalonyl * unknown * methylmalonyl * malonyl * methylmalonyl * methylmalonyl * malonyl * methylmalonyl * malonyl | CC(C)C=C(*)C(O)C(*)C(=O)C(*)C(=O)N[C@H](C(O)C)C(=O)N(C)[C@H](C(O)C)C(=O)C(C)C=C(C)C=C(C)C(=O)C(*)(C)C(=O)NCC=C(*)C(O)C(*)C(C)C=CC=C(C)C(O)C(C)C(O)CCC(C)C(=O)CC(=O)O | Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:1 | ||
31 | 1 | nrps | Show | Open | Show | Scaffold Input | L * A * V * A * L * orn * T * orn * V * L * F * F * F * V | 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)N[C@H](Cc1ccccc1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N[C@H](C(C)C) | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
22 | 1 | pks | Show | Open | Show | Scaffold Input | malonyl * malonyl * methylmalonyl * malonyl * malonyl * methylmalonyl * malonyl * ethylmalonyl * methylmalonyl * methylmalonyl * methylmalonyl * methylmalonyl * malonyl | CC(O)CC(O)C(C)CCC(O)CC(O)C(C)C(O)CCC(CC)C(O)C(C)C(O)C(C)C(O)C(C)C(O)C(C)C=CC(=O)O | Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:0 | ||
4 | 1 | pks | Show | Open | Show | Scaffold Input | methylmalonyl * methylmalonyl * methylmalonyl * malonyl * malonyl * malonyl * malonyl * methylmalonyl * malonyl * methylmalonyl * malonyl | C(C)C=C(C)C(O)C(C)CCC(=O)CC(O)CC(O)CC=C(C)C(O)CC(O)C(C)C(O)C | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:0 | ||
6 | 2 | pks-nrps | Show | Open | Show | Scaffold Input | methylmalonyl * methylmalonyl * malonyl * V * N * N | C(C)C=C(C)C=CC(=O)N[C@H](C(C)C)C(=O)N(C)[C@H](CC(=O)N)C(=O)N[C@H](CC(=O)N)C(=O)O | Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:1 | ||
28 | 1 | pks-nrps | Show | Open | Show | Scaffold Input | unknown * unknown * unknown * unknown * T * V | C=C(*)C(O)C(*)C(=O)C(*)C(=O)C(*)C(=O)N[C@H](C(O)C)C(=O)N(C)[C@H](C(C)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 | C * T * G * A | N[C@H](C)C(=O)N[C@H](CS)C(=O)N[C@H](C(O)C)C(=O)NC | None | ||
3 | 1 | nrps-pks | Show | Open | Show | Scaffold Input | F * F * E * unknown | N[C@H](Cc1ccccc1)C(=O)C(*)C(=O)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 | ||
34 | 1 | nrps-pks | Show | Open | Show | Scaffold Input | F * unknown * F | C(=O)C(*)C(=O)N[C@H](Cc1ccccc1)N[C@H](Cc1ccccc1) | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
15 | 1 | nrps | Show | Open | Show | Scaffold Input | A * E | N[C@H](C)C(=O)N[C@H](CCC(=O)O) | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
32 | 1 | nrps | Show | Open | Show | Scaffold Input | dhb * F | Oc1c(O)c(ccc1)C(=O)N[C@H](Cc1ccccc1) | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
25 | 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 | ||
26 | 1 | nrps-pks | Show | Open | Show | Scaffold Input | F * malonyl | N[C@H](Cc1ccccc1)CC(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 | malonyl * F | C=CC(=O)N[C@H](Cc1ccccc1) | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
35 | 2 | nrps | Show | Open | Show | Scaffold Input | S * P | C(=O)N[C@H](CO)C(=O)N[C@H](C1CCCN1)C(=O)O | 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 | ||
21 | 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 | ||
22 | 2 | pks | Show | Open | Show | Scaffold Input | malonyl | C=C | Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:0 | ||
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 | ||
23 | 1 | nrps | Show | Open | Show | Scaffold Input | P | C(=O)N[C@H](C1CCCN1) | 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 | Oc1c(O)c(ccc1) | Glyco:0 * NO2:0 * Cl:0 * 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 | ||
33 | 1 | nrps | Show | Open | Show | Scaffold Input | dhb | Oc1c(O)c(ccc1) | None | ||
7 | 1 | nrps | Show | Open | Show | Scaffold Input | S | N[C@H](CO) | None | ||
35 | 1 | pks | Show | Open | Show | Scaffold Input | malonyl | C=CC(=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 | N[C@H](Cc1ccccc1) | None | ||
3 | 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 | ||
5 | 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 | 2 | 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 | ||
10 | 1 | 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 | pks | Show | Open | Show | Scaffold Input | malonyl | C | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
14 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
16 | 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 | ||
17 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
18 | 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 |
© 2018 Pharmaceutical Bioinformatics