Cluster | Block | Type | DB screening | Cluster browser | Domains | Modify scaffold | Specificity | Smiles | Postsynthetic modifications | Figure | |
---|---|---|---|---|---|---|---|---|---|---|---|
1 | 1 | nrps-pks | Show | Open | Show | Scaffold Input | F * malonyl * methylmalonyl * methylmalonyl * methylmalonyl * methylmalonyl * malonyl * T * F * hpg * V * S | N[C@H](Cc1ccccc1)C(=O)CC=C(C)C(O)C(C)CC(C)CC(C)C(O)CC(=O)N[C@H](C(O)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CNc1ccc(O)cc1)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CO)C(=O)O | Glyco:0 * NO2:0 * Cl:2 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
38 | 1 | pks | Show | Open | Show | Scaffold Input | malonyl * methylmalonyl * malonyl * malonyl * malonyl * methylmalonyl * malonyl * methylmalonyl * malonyl * malonyl | CC=CC(O)C(C)C(=O)CC=C(C)C=CC(O)CCCC=C(C)C(=O)CC(=O)O | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
36 | 1 | pks | Show | Open | Show | Scaffold Input | methylmalonyl * malonyl * malonyl * ethylmalonyl * malonyl * methylmalonyl * methylmalonyl * malonyl | C(O)C(C)C(=O)CC(O)CCC(CC)C=CCC(C)C(=O)C(C)C=C | 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 * C * C * F * dhb * K * W | N[C@H](Cc1ccccc1)C(=O)Oc1c(O)c(ccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC(=C12)C=CC=C2)C(=O)N[C@H](CO)C(=O)N[C@H](CS)C(=O)N[C@H](CS)C(=O)O | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
8 | 2 | nrps-pks | Show | Open | Show | Scaffold Input | V * F * F * unknown | N[C@H](C(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(O)C(*)C(=O)O | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
27 | 1 | nrps | Show | Open | Show | Scaffold Input | A * P * F | N[C@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@H](C1CCCN1) | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
37 | 1 | nrps | Show | Open | Show | Scaffold Input | S * T * horn | N[C@@H](CO)C(=O)N[C@@H](C(O)C)C(=O)N[C@H](CCCNO) | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
28 | 1 | nrps | Show | Open | Show | Scaffold Input | F * orn * horn | C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCN)C(=O)N[C@H](CCCNO)C(=O)O | None | ||
31 | 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 | ||
32 | 1 | nrps | Show | Open | Show | Scaffold Input | F * F | N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)CO | 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 * E | N[C@H](Cc1ccccc1)C(=O)N[C@H](CCC(=O)O) | None | ||
14 | 1 | nrps | Show | Open | Show | Scaffold Input | A * E | N[C@H](C)C(=O)N[C@H](CCC(=O)O) | None | ||
21 | 2 | nrps-pks | Show | Open | Show | Scaffold Input | T * malonyl | C=CC(=O)N[C@H](C(O)C)CO | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
21 | 1 | nrps | Show | Open | Show | Scaffold Input | L * F | N[C@H](CC(C)C)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 | ||
30 | 1 | pks-nrps | Show | Open | Show | Scaffold Input | malonyl * orn | C=CC(=O)N[C@H](CCCN)C(=O)O | 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 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
20 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
29 | 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 | P | N[C@H](C1CCCN1) | 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 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | 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) | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
33 | 1 | nrps | Show | Open | Show | Scaffold Input | P | N[C@H](C1CCCN1) | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
35 | 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 | ||
35 | 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 | ||
34 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
2 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
3 | 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) | Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 | ||
5 | 1 | nrps | Show | Open | Show | Scaffold Input | dhb | Oc1c(O)c(ccc1) | None | ||
6 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
7 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
8 | 1 | nrps | Show | Open | Show | Scaffold Input | F | 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 | ||
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 | pks | Show | Open | Show | Scaffold Input | malonyl | C | 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 | ||
16 | 1 | nrps | Show | Open | Show | Scaffold Input | F | N[C@H](Cc1ccccc1) | None | ||
17 | 1 | nrps | Show | Open | Show | Scaffold Input | dhb | Oc1c(O)c(ccc1) | None |
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