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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 | THV | 1 | 1 |
2 | THY | 0.855422 | 0.96 |
3 | TOG | 0.706522 | 0.935065 |
4 | THW | 0.698925 | 0.972973 |
5 | TDW | 0.674157 | 0.986301 |
6 | WWF | 0.645161 | 0.973333 |
7 | HTL | 0.637363 | 0.972973 |
8 | AUJ | 0.62766 | 0.935065 |
9 | TDL | 0.614583 | 0.911392 |
10 | TDK | 0.608247 | 0.935065 |
11 | TD6 | 0.59 | 0.935065 |
12 | T6F | 0.580952 | 0.911392 |
13 | T5X | 0.580952 | 0.911392 |
14 | TD9 | 0.578431 | 0.935065 |
15 | TD8 | 0.578431 | 0.935065 |
16 | D7K | 0.566038 | 0.923077 |
17 | TPP | 0.548387 | 0.958904 |
18 | 5SR | 0.546392 | 0.933333 |
19 | 8PA | 0.531532 | 0.96 |
20 | O2T | 0.529412 | 0.923077 |
21 | V4E | 0.510204 | 0.958904 |
22 | S1T | 0.494949 | 0.876712 |
23 | R1T | 0.494949 | 0.876712 |
24 | PYI | 0.484536 | 0.851351 |
25 | TPW | 0.484211 | 0.863014 |
26 | 1U0 | 0.466019 | 0.831169 |
27 | TDP | 0.46 | 0.945205 |
28 | TPU | 0.458333 | 0.810127 |
29 | 8EO | 0.45 | 0.884615 |
30 | NDQ | 0.431373 | 0.875 |
31 | TDP DX5 | 0.42735 | 0.886076 |
32 | TPS | 0.427083 | 0.917808 |
33 | 8EL | 0.421569 | 0.860759 |
34 | TMV | 0.417476 | 0.92 |
35 | 2TP | 0.417476 | 0.921053 |
36 | TZD | 0.415842 | 0.85 |
37 | 1Y7 TDP | 0.413223 | 0.886076 |
38 | 8FL | 0.407767 | 0.860759 |