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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 | TDP | 1 | 1 |
2 | TPP | 0.84 | 0.985714 |
3 | V4E | 0.797468 | 0.985714 |
4 | TPS | 0.77027 | 0.942857 |
5 | TMV | 0.75 | 0.944444 |
6 | VNP | 0.703704 | 0.945205 |
7 | N1T | 0.674699 | 1 |
8 | NDQ | 0.647059 | 0.896104 |
9 | 2TP | 0.609195 | 0.918919 |
10 | VIB | 0.605263 | 0.760563 |
11 | 5SR | 0.582418 | 0.958333 |
12 | FTP | 0.574713 | 0.847222 |
13 | O2T | 0.546392 | 0.896104 |
14 | PYI | 0.483871 | 0.873239 |
15 | HTL | 0.474227 | 0.945205 |
16 | TDW | 0.474227 | 0.958333 |
17 | AUJ | 0.47 | 0.907895 |
18 | THV | 0.46 | 0.945205 |
19 | TD6 | 0.457143 | 0.907895 |
20 | WWF | 0.455446 | 0.92 |
21 | TOG | 0.451923 | 0.907895 |
22 | TPW | 0.451613 | 0.885714 |
23 | THY | 0.45098 | 0.932432 |
24 | TD9 | 0.448598 | 0.907895 |
25 | TD8 | 0.448598 | 0.907895 |
26 | THW | 0.447619 | 0.945205 |
27 | TDL | 0.446602 | 0.884615 |
28 | TDK | 0.442308 | 0.907895 |
29 | D7K | 0.415929 | 0.896104 |
30 | TPU | 0.410526 | 0.828947 |
31 | S1T | 0.405941 | 0.873239 |
32 | R1T | 0.405941 | 0.873239 |
33 | T6F | 0.403509 | 0.884615 |
34 | T5X | 0.403509 | 0.884615 |