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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 5 families. | |||||
1 | 1YIY | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
2 | 2R5E | - | QLP | C13 H20 N3 O8 P | Cc1c(c(c(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 1YIY | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
2 | 2R5E | - | QLP | C13 H20 N3 O8 P | Cc1c(c(c(c.... |
3 | 3E2Y | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
4 | 5VEQ | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
5 | 3FVU | - | IAC | C10 H9 N O2 | c1ccc2c(c1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | QLP | 1 | 1 |
2 | PGU | 0.865672 | 0.938462 |
3 | PDG | 0.865672 | 0.938462 |
4 | PY5 | 0.808824 | 0.882353 |
5 | 7XF | 0.785714 | 0.909091 |
6 | ORX | 0.777778 | 0.924242 |
7 | N5F | 0.777778 | 0.924242 |
8 | LPI | 0.774648 | 0.84507 |
9 | PE1 | 0.767123 | 0.924242 |
10 | PY6 | 0.763889 | 0.857143 |
11 | PLS | 0.753623 | 0.878788 |
12 | PL4 | 0.746667 | 0.924242 |
13 | PPD | 0.742857 | 0.907692 |
14 | C6P | 0.742857 | 0.878788 |
15 | 0PR | 0.679487 | 0.865672 |
16 | PP3 | 0.676056 | 0.835821 |
17 | PDD | 0.676056 | 0.835821 |
18 | PDA | 0.676056 | 0.835821 |
19 | ILP | 0.666667 | 0.838235 |
20 | TLP | 0.657534 | 0.835821 |
21 | 2BK | 0.657534 | 0.835821 |
22 | 2BO | 0.657534 | 0.835821 |
23 | AQ3 | 0.650602 | 0.828571 |
24 | 76U | 0.628205 | 0.895522 |
25 | IN5 | 0.611111 | 0.80597 |
26 | EA5 | 0.6 | 0.925373 |
27 | PLG | 0.589041 | 0.878788 |
28 | CBA | 0.582278 | 0.880597 |
29 | IK2 | 0.578947 | 0.84058 |
30 | P1T | 0.565789 | 0.84058 |
31 | KAM | 0.564706 | 0.867647 |
32 | 5PA | 0.551282 | 0.867647 |
33 | 33P | 0.538462 | 0.794118 |
34 | PLA | 0.5375 | 0.855072 |
35 | PMG | 0.536585 | 0.884058 |
36 | HEY | 0.53012 | 0.882353 |
37 | PXP | 0.521739 | 0.727273 |
38 | PL2 | 0.518072 | 0.802817 |
39 | PMP | 0.514286 | 0.815385 |
40 | PPE | 0.506024 | 0.924242 |
41 | PSZ | 0.505882 | 0.743243 |
42 | 3LM | 0.505882 | 0.780822 |
43 | PXG | 0.505747 | 0.797101 |
44 | PMH | 0.493827 | 0.717949 |
45 | DN9 | 0.488889 | 0.914286 |
46 | RW2 | 0.488636 | 0.816901 |
47 | GT1 | 0.486111 | 0.657143 |
48 | DCS | 0.482353 | 0.779221 |
49 | 7TS | 0.470588 | 0.725 |
50 | 9YM | 0.465909 | 0.8 |
51 | CKT | 0.463415 | 0.808824 |
52 | PL8 | 0.450549 | 0.849315 |
53 | 7B9 | 0.44086 | 0.808219 |
54 | PPG | 0.434783 | 0.867647 |
55 | CAN PLP | 0.428571 | 0.869565 |
56 | 1D0 | 0.427083 | 0.791667 |
57 | PL6 | 0.425287 | 0.776119 |
58 | PLR | 0.422535 | 0.641791 |
59 | Z98 | 0.420455 | 0.823529 |
60 | PLP 2KZ | 0.418605 | 0.768116 |
61 | F0G | 0.416667 | 0.705882 |
62 | PUS | 0.413043 | 0.733333 |
63 | KOU | 0.411765 | 0.764706 |
64 | PLP | 0.405405 | 0.681818 |
65 | 0JO | 0.404762 | 0.690141 |
66 | 5DK | 0.4 | 0.8 |
67 | RMT | 0.4 | 0.736111 |
68 | EQJ | 0.4 | 0.8 |