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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 2 families. | |||||
1 | 2TPL | Ki = 1.25 mM | HPP | C9 H10 O3 | c1cc(ccc1C.... |
2 | 2VLH | - | PM9 | C13 H19 N2 O7 P S | CC1=C(/C(=.... |
3 | 2VLF | - | PLI | C11 H15 N2 O7 P | CC1=C(/C(=.... |
4 | 6DZ5 | - | P61 | C17 H18 F N2 O8 P | CC1=C(/C(=.... |
5 | 2YCP | - | P61 | C17 H18 F N2 O8 P | CC1=C(/C(=.... |
6 | 2YCN | - | P61 | C17 H18 F N2 O8 P | CC1=C(/C(=.... |
7 | 6DVX | - | P70 | C17 H19 N2 O7 P | Cc1c(c(c(c.... |
8 | 6DUR | - | P71 | C17 H19 N2 O7 P | CC1=C(/C(=.... |
9 | 6DYT | - | PP3 | C11 H17 N2 O7 P | Cc1c(c(c(c.... |
10 | 2YCT | - | PLI | C11 H15 N2 O7 P | CC1=C(/C(=.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 2TPL | Ki = 1.25 mM | HPP | C9 H10 O3 | c1cc(ccc1C.... |
2 | 2VLH | - | PM9 | C13 H19 N2 O7 P S | CC1=C(/C(=.... |
3 | 2VLF | - | PLI | C11 H15 N2 O7 P | CC1=C(/C(=.... |
4 | 6DZ5 | - | P61 | C17 H18 F N2 O8 P | CC1=C(/C(=.... |
5 | 2YCP | - | P61 | C17 H18 F N2 O8 P | CC1=C(/C(=.... |
6 | 2YCN | - | P61 | C17 H18 F N2 O8 P | CC1=C(/C(=.... |
7 | 6DVX | - | P70 | C17 H19 N2 O7 P | Cc1c(c(c(c.... |
8 | 6DUR | - | P71 | C17 H19 N2 O7 P | CC1=C(/C(=.... |
9 | 6DYT | - | PP3 | C11 H17 N2 O7 P | Cc1c(c(c(c.... |
10 | 2YCT | - | PLI | C11 H15 N2 O7 P | CC1=C(/C(=.... |
11 | 5W19 | Ki ~ 5 uM | 9TD | C19 H20 N3 O8 P | Cc1c(c(c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | P70 | 1 | 1 |
2 | PLP PHE | 0.703704 | 0.890909 |
3 | KOU | 0.69863 | 0.894737 |
4 | PL6 | 0.662338 | 0.910714 |
5 | PLT | 0.655172 | 0.913793 |
6 | F0G | 0.64 | 0.925926 |
7 | 6DF | 0.620253 | 0.907407 |
8 | PL5 | 0.614458 | 0.864407 |
9 | PUS | 0.614458 | 0.761194 |
10 | Q0P | 0.613636 | 0.913793 |
11 | FEJ | 0.6125 | 0.877193 |
12 | EPC | 0.608108 | 0.888889 |
13 | 5DK | 0.593023 | 0.809524 |
14 | EQJ | 0.593023 | 0.809524 |
15 | 0JO | 0.564103 | 0.894737 |
16 | 4LM | 0.544304 | 0.877193 |
17 | Z98 | 0.535714 | 0.836066 |
18 | FEV | 0.530864 | 0.862069 |
19 | SER PLP | 0.53012 | 0.842105 |
20 | EVM | 0.52439 | 0.87931 |
21 | PLP | 0.5 | 0.833333 |
22 | PLP 999 | 0.5 | 0.824561 |
23 | EXT | 0.5 | 0.859649 |
24 | PLP ALO | 0.488372 | 0.824561 |
25 | MPM | 0.481928 | 0.875 |
26 | FOO | 0.481481 | 0.875 |
27 | PZP | 0.472973 | 0.836364 |
28 | HCP | 0.470588 | 0.830508 |
29 | P3D | 0.470588 | 0.761905 |
30 | AN7 | 0.469136 | 0.836364 |
31 | PLP PVH | 0.463918 | 0.769231 |
32 | PFM | 0.449438 | 0.830508 |
33 | P89 | 0.446809 | 0.742424 |
34 | 3QP | 0.44186 | 0.836364 |
35 | GLY PLP | 0.430233 | 0.807018 |
36 | O1G | 0.42268 | 0.806452 |
37 | KET | 0.422222 | 0.87931 |
38 | 0PR | 0.421053 | 0.822581 |
39 | PLP ABU | 0.417582 | 0.79661 |
40 | LUH | 0.412371 | 0.73913 |
41 | LUK | 0.412371 | 0.73913 |
42 | 9TD | 0.40566 | 0.80303 |
43 | PLS | 0.404494 | 0.777778 |
This union binding pocket(no: 1) in the query (biounit: 2tpl.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2tpl.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |