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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 | 2VMO | - | GLY PLP | n/a | n/a |
2 | 2VMQ | - | GLY PLP | n/a | n/a |
3 | 2W7F | - | SER PLP | n/a | n/a |
4 | 2W7L | - | PLP ALO | n/a | n/a |
5 | 1KKP | - | PLP SER | n/a | n/a |
6 | 2VMP | - | SER PLP | n/a | n/a |
7 | 1YJY | - | PLP SER | n/a | n/a |
8 | 2VMW | - | SER PLP | n/a | n/a |
9 | 2W7K | - | SER PLP | n/a | n/a |
10 | 1KL1 | - | PLP GLY | n/a | n/a |
11 | 2W7J | - | GLY PLP | n/a | n/a |
12 | 2W7M | - | GLY PLP | n/a | n/a |
13 | 2VMX | - | PLP ALO | n/a | n/a |
14 | 1YJZ | - | PLP | C8 H10 N O6 P | Cc1c(c(c(c.... |
15 | 2VMT | - | SER PLP | n/a | n/a |
16 | 2W7G | - | PLP ALO | n/a | n/a |
17 | 1YJS | - | PLP GLY | n/a | n/a |
18 | 4WXG | - | 2BO | C12 H19 N2 O8 P | Cc1c(c(c(c.... |
19 | 4WXB | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
20 | 4WXF | - | PLG | C10 H15 N2 O7 P | Cc1c(c(c(c.... |
21 | 6YMF | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
22 | 1DFO | - | PLG | C10 H15 N2 O7 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 | 2VMO | - | GLY PLP | n/a | n/a |
2 | 2VMQ | - | GLY PLP | n/a | n/a |
3 | 2W7F | - | SER PLP | n/a | n/a |
4 | 2W7L | - | PLP ALO | n/a | n/a |
5 | 1KKP | - | PLP SER | n/a | n/a |
6 | 2VMP | - | SER PLP | n/a | n/a |
7 | 1YJY | - | PLP SER | n/a | n/a |
8 | 2VMW | - | SER PLP | n/a | n/a |
9 | 2W7K | - | SER PLP | n/a | n/a |
10 | 1KL1 | - | PLP GLY | n/a | n/a |
11 | 2W7J | - | GLY PLP | n/a | n/a |
12 | 2W7M | - | GLY PLP | n/a | n/a |
13 | 2VMX | - | PLP ALO | n/a | n/a |
14 | 1YJZ | - | PLP | C8 H10 N O6 P | Cc1c(c(c(c.... |
15 | 2VMT | - | SER PLP | n/a | n/a |
16 | 2W7G | - | PLP ALO | n/a | n/a |
17 | 1YJS | - | PLP GLY | n/a | n/a |
18 | 6UXI | - | PLG | C10 H15 N2 O7 P | Cc1c(c(c(c.... |
19 | 6UXL | - | PLG | C10 H15 N2 O7 P | Cc1c(c(c(c.... |
20 | 6UXJ | Kd = 17 uM | FFO | C20 H23 N7 O7 | c1cc(ccc1C.... |
21 | 4WXG | - | 2BO | C12 H19 N2 O8 P | Cc1c(c(c(c.... |
22 | 4WXB | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
23 | 4WXF | - | PLG | C10 H15 N2 O7 P | Cc1c(c(c(c.... |
24 | 6SMW | Ki = 119.4 uM | LYA | C20 H21 N5 O6 | c1cc(ccc1C.... |
25 | 6SMR | Ki = 179.3 uM | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
26 | 6YMF | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
27 | 6QVL | - | 4DW | C20 H19 N5 O6 | c1cc(ccc1C.... |
28 | 6QVG | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
29 | 5V7I | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
30 | 5GVN | ic50 = 90 nM | G6F | C26 H25 F N4 O3 | Cc1c2c(n[n.... |
31 | 5XMV | - | 8AU | C24 H20 Cl F3 N4 O | Cc1c2c(n[n.... |
32 | 5YFZ | - | 8UO | C24 H28 F N5 O3 | Cc1c2c(n[n.... |
33 | 5XMQ | - | 8A6 | C32 H30 F3 N5 O3 S | Cc1c2c(n[n.... |
34 | 4TN4 | - | 33G | C25 H20 F N5 O | Cc1c2c(n[n.... |
35 | 5GVL | ic50 = 42 nM | GI8 | C24 H23 N5 O2 S | Cc1c2c(n[n.... |
36 | 5XMP | - | 8A3 | C27 H25 F6 N5 O3 S | Cc1c2c(n[n.... |
37 | 5GVM | ic50 = 186 nM | G57 | C26 H23 F3 N4 O3 | Cc1c2c(n[n.... |
38 | 5XMS | - | 8B3 | C24 H20 F4 N4 O | Cc1c2c(n[n.... |
39 | 5YG4 | - | 8UF | C25 H28 F N5 O3 | Cc1c2c(n[n.... |
40 | 5XMU | - | 8A0 | C25 H23 F3 N4 O | Cc1ccccc1c.... |
41 | 5YG3 | - | 8UC | C23 H20 F N5 O | Cc1c2c(n[n.... |
42 | 5GVK | ic50 = 99 nM | G45 | C24 H24 N6 O3 S2 | Cc1c2c(n[n.... |
43 | 5YG2 | - | N05 | C25 H30 F N5 O3 | Cc1c2c(n[n.... |
44 | 5GVP | ic50 = 165 nM | GCF | C27 H25 F3 N4 O3 | Cc1c2c(n[n.... |
45 | 1DFO | - | PLG | C10 H15 N2 O7 P | Cc1c(c(c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PLP ALO | 1 | 1 |
2 | PLP 999 | 0.808824 | 0.961538 |
3 | SER PLP | 0.704225 | 0.943396 |
4 | GLY PLP | 0.625 | 0.90566 |
5 | PLP PHE | 0.609756 | 0.888889 |
6 | FEJ | 0.597403 | 0.875 |
7 | PLP ABU | 0.576923 | 0.857143 |
8 | PLP PVH | 0.563218 | 0.793651 |
9 | F0G | 0.56 | 0.888889 |
10 | EPC | 0.547945 | 0.851852 |
11 | PLP MYB | 0.54023 | 0.716418 |
12 | KOU | 0.532468 | 0.859649 |
13 | PLP PUT | 0.531646 | 0.754098 |
14 | 6DF | 0.506173 | 0.803571 |
15 | PL6 | 0.506173 | 0.810345 |
16 | PLP 142 | 0.489362 | 0.793651 |
17 | PL5 | 0.488372 | 0.770492 |
18 | P70 | 0.488372 | 0.824561 |
19 | 4LM | 0.487179 | 0.842105 |
20 | 0JO | 0.487179 | 0.79661 |
21 | 5DK | 0.47191 | 0.75 |
22 | EQJ | 0.47191 | 0.75 |
23 | PUS | 0.471264 | 0.731343 |
24 | EVM | 0.469136 | 0.877193 |
25 | PLP 2TL | 0.457831 | 0.816667 |
26 | FEV | 0.45679 | 0.827586 |
27 | ASP PLP | 0.452381 | 0.807018 |
28 | Z98 | 0.447059 | 0.774194 |
29 | Q0P | 0.446809 | 0.758065 |
30 | PLP SER | 0.444444 | 0.8 |
31 | EXT | 0.443038 | 0.793103 |
32 | PLP BH2 | 0.435294 | 0.786885 |
33 | HCP | 0.433735 | 0.737705 |
34 | PLP CYS | 0.428571 | 0.746032 |
35 | MPM | 0.426829 | 0.807018 |
36 | PLT | 0.42268 | 0.758065 |
37 | SEP PLP | 0.418605 | 0.786885 |
38 | P3D | 0.416667 | 0.703125 |
39 | PLP | 0.416667 | 0.796296 |
40 | LEU PLP | 0.413793 | 0.761905 |
41 | P89 | 0.413043 | 0.738462 |
42 | PLP 2KZ | 0.411765 | 0.770492 |
43 | PZP | 0.410959 | 0.767857 |
44 | FOO | 0.407407 | 0.807018 |
45 | GLU PLP | 0.404494 | 0.734375 |
46 | PLP 2ML | 0.404494 | 0.738462 |
47 | PLP PMP | 0.4 | 0.745763 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | TLP | 0.9728 |
2 | PLS | 0.9650 |
3 | 2BK | 0.9626 |
4 | 2BO | 0.9391 |
5 | 5PA | 0.9312 |
6 | PDA | 0.9283 |
7 | PP3 | 0.9283 |
8 | PLI | 0.9283 |
9 | IN5 | 0.9258 |
10 | C6P | 0.9254 |
11 | PLG | 0.9237 |
12 | P1T | 0.9233 |
13 | CKT | 0.9176 |
14 | 7XF | 0.9104 |
15 | PDD | 0.9080 |
16 | PPD | 0.9053 |
17 | ILP | 0.9034 |
18 | DCS | 0.9025 |
19 | PLP 0A0 | 0.9019 |
20 | PLA | 0.8973 |
21 | PY5 | 0.8939 |
22 | PLP GLY | 0.8928 |
23 | PLP MET | 0.8917 |
24 | MET PLP | 0.8915 |
25 | LCS | 0.8914 |
26 | L7N | 0.8882 |
27 | PLP AOA | 0.8861 |
28 | 3QP | 0.8851 |
29 | CBA | 0.8841 |
30 | KET | 0.8811 |
31 | 7TS | 0.8727 |
32 | PY6 | 0.8696 |
33 | PM9 | 0.8691 |
34 | AN7 | 0.8649 |
35 | 8JF | 0.8635 |
36 | PMH | 0.8606 |
37 | OJQ | 0.8606 |
38 | 3LM | 0.8555 |