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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 1X7Z | Kd = 40.3 uM | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
2 | 1OLX | Kd = 47.1 uM | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
3 | 1V11 | Kd = 104.8 uM | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
4 | 1V16 | Kd = 134.8 uM | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
5 | 2BFC | - | TZD | C12 H18 N4 O8 P2 S | Cc1ncc(c(n.... |
6 | 2BFD | - | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
7 | 2J9F | - | THV | C16 H26 N4 O8 P2 S | Cc1c(sc([n.... |
8 | 1X7W | Kd = 60.9 uM | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
9 | 2BFE | - | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
10 | 1X80 | Kd = 89.3 uM | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
11 | 2BEV | - | THY | C17 H28 N4 O8 P2 S | CC[C@H](C).... |
12 | 1OLS | Kd = 1.52 uM | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
13 | 1X7Y | Kd = 54.4 uM | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
14 | 2BFF | - | TZD | C12 H18 N4 O8 P2 S | Cc1ncc(c(n.... |
15 | 2BEW | - | THW | C19 H24 N4 O8 P2 S | Cc1c(sc([n.... |
16 | 1OLU | Kd = 39.3 uM | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
17 | 2BEU | - | THV | C16 H26 N4 O8 P2 S | Cc1c(sc([n.... |
18 | 2BFB | - | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
19 | 1X7X | Kd = 52.6 uM | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
20 | 1WCI | - | WWF | C17 H29 N4 O8 P2 S | Cc1c(sc([n.... |
21 | 1V1M | Kd = 115 uM | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
22 | 1U5B | Kd = 1.6 uM | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1X7Z | Kd = 40.3 uM | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
2 | 1OLX | Kd = 47.1 uM | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
3 | 1V11 | Kd = 104.8 uM | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
4 | 1V16 | Kd = 134.8 uM | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
5 | 2BFC | - | TZD | C12 H18 N4 O8 P2 S | Cc1ncc(c(n.... |
6 | 2BFD | - | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
7 | 2J9F | - | THV | C16 H26 N4 O8 P2 S | Cc1c(sc([n.... |
8 | 1X7W | Kd = 60.9 uM | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
9 | 2BFE | - | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
10 | 1X80 | Kd = 89.3 uM | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
11 | 2BEV | - | THY | C17 H28 N4 O8 P2 S | CC[C@H](C).... |
12 | 1OLS | Kd = 1.52 uM | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
13 | 1X7Y | Kd = 54.4 uM | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
14 | 2BFF | - | TZD | C12 H18 N4 O8 P2 S | Cc1ncc(c(n.... |
15 | 2BEW | - | THW | C19 H24 N4 O8 P2 S | Cc1c(sc([n.... |
16 | 1OLU | Kd = 39.3 uM | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
17 | 2BEU | - | THV | C16 H26 N4 O8 P2 S | Cc1c(sc([n.... |
18 | 2BFB | - | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
19 | 1X7X | Kd = 52.6 uM | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
20 | 1WCI | - | WWF | C17 H29 N4 O8 P2 S | Cc1c(sc([n.... |
21 | 1V1M | Kd = 115 uM | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
22 | 1U5B | Kd = 1.6 uM | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | WWF | 1 | 1 |
2 | TDW | 0.807229 | 0.96 |
3 | TD6 | 0.758242 | 0.935897 |
4 | TD9 | 0.741935 | 0.935897 |
5 | TD8 | 0.741935 | 0.935897 |
6 | THV | 0.645161 | 0.973333 |
7 | THY | 0.631579 | 0.960526 |
8 | HTL | 0.630435 | 0.947368 |
9 | 8PA | 0.628571 | 0.935065 |
10 | AUJ | 0.621053 | 0.911392 |
11 | TDL | 0.608247 | 0.888889 |
12 | TDK | 0.602041 | 0.911392 |
13 | TOG | 0.59596 | 0.935897 |
14 | T6F | 0.575472 | 0.9125 |
15 | T5X | 0.575472 | 0.9125 |
16 | THW | 0.574257 | 0.947368 |
17 | D7K | 0.546296 | 0.9 |
18 | TPP | 0.542553 | 0.933333 |
19 | 5SR | 0.540816 | 0.909091 |
20 | O2T | 0.524272 | 0.9 |
21 | S1T | 0.520408 | 0.853333 |
22 | R1T | 0.520408 | 0.853333 |
23 | TPW | 0.510638 | 0.84 |
24 | V4E | 0.50505 | 0.933333 |
25 | 1U0 | 0.504951 | 0.833333 |
26 | PYI | 0.494845 | 0.828947 |
27 | TDP | 0.455446 | 0.92 |
28 | 8EO | 0.445545 | 0.8625 |
29 | TPU | 0.438776 | 0.790123 |
30 | TDP DX5 | 0.423729 | 0.8875 |
31 | TPS | 0.42268 | 0.893333 |
32 | 8EL | 0.417476 | 0.839506 |
33 | 8FL | 0.417476 | 0.839506 |
34 | NDQ | 0.413462 | 0.853659 |
35 | 2TP | 0.413462 | 0.897436 |
36 | TMV | 0.413462 | 0.896104 |
37 | TZD | 0.411765 | 0.829268 |
38 | 1Y7 TDP | 0.409836 | 0.8875 |