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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 | TZD | 1 | 1 |
2 | TDM | 0.716049 | 0.910256 |
3 | TDN | 0.690476 | 0.8875 |
4 | THD | 0.682353 | 0.855422 |
5 | 8N9 | 0.682353 | 0.855422 |
6 | TD7 | 0.644444 | 0.888889 |
7 | 8FL | 0.638554 | 0.986667 |
8 | 8EL | 0.638554 | 0.910256 |
9 | QSP | 0.53 | 0.86747 |
10 | ZP1 | 0.490566 | 0.857143 |
11 | 8EF | 0.48913 | 0.85 |
12 | TPU | 0.47191 | 0.768293 |
13 | TPW | 0.466667 | 0.815789 |
14 | PYI | 0.451613 | 0.782051 |
15 | TPP | 0.451613 | 0.883117 |
16 | THY | 0.435644 | 0.839506 |
17 | S1T | 0.43299 | 0.805195 |
18 | R1T | 0.43299 | 0.805195 |
19 | 1TP | 0.431373 | 0.841463 |
20 | G8G | 0.430108 | 0.894737 |
21 | HTL | 0.428571 | 0.873418 |
22 | TDW | 0.428571 | 0.860759 |
23 | 1U0 | 0.42 | 0.765432 |
24 | 8EO | 0.416667 | 0.839506 |
25 | THV | 0.415842 | 0.85 |
26 | MP5 | 0.413333 | 0.631579 |
27 | AUJ | 0.411765 | 0.819277 |
28 | WWF | 0.411765 | 0.829268 |
29 | TOG | 0.409524 | 0.841463 |
30 | V4E | 0.40404 | 0.883117 |
31 | TDL | 0.403846 | 0.821429 |
32 | TDK | 0.4 | 0.819277 |