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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 SER | 1 | 1 |
2 | PLP 2TL | 0.757576 | 0.949153 |
3 | PLP CYS | 0.742424 | 0.901639 |
4 | LEU PLP | 0.735294 | 0.918033 |
5 | PLP BH2 | 0.720588 | 0.916667 |
6 | SEP PLP | 0.720588 | 0.916667 |
7 | GLU PLP | 0.690141 | 0.887097 |
8 | TYR PLP | 0.644737 | 0.901639 |
9 | PLP 2ML | 0.621622 | 0.919355 |
10 | PLP 0A0 | 0.60274 | 0.919355 |
11 | PLP PMP | 0.5625 | 0.912281 |
12 | ASP PLP | 0.56 | 0.847458 |
13 | PLP HSA | 0.555556 | 0.80303 |
14 | PLP 2KZ | 0.533333 | 0.9 |
15 | CAN PLP | 0.518519 | 0.833333 |
16 | ACZ PLP | 0.455556 | 0.859375 |
17 | GAB PLP | 0.453488 | 0.885246 |
18 | PLP ALO | 0.444444 | 0.8 |
19 | PMP | 0.434783 | 0.864407 |
20 | SER PLP | 0.432099 | 0.786885 |
21 | PLP 999 | 0.421687 | 0.770492 |
22 | PXP | 0.42029 | 0.766667 |
23 | PPD | 0.419753 | 0.84127 |
24 | GLY PLP | 0.417722 | 0.783333 |
25 | PDA | 0.417722 | 0.916667 |
26 | PP3 | 0.417722 | 0.916667 |
27 | PDD | 0.417722 | 0.916667 |
28 | IN5 | 0.415584 | 0.883333 |
29 | OJQ | 0.414634 | 0.684211 |
30 | PMP HSA | 0.411111 | 0.746269 |
31 | GT1 | 0.408451 | 0.714286 |
32 | 2BO | 0.407407 | 0.885246 |
33 | 2BK | 0.407407 | 0.885246 |
34 | TLP | 0.407407 | 0.885246 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PLS | 0.9903 |
2 | 0JO | 0.9777 |
3 | P1T | 0.9742 |
4 | PLG | 0.9624 |
5 | FOO | 0.9602 |
6 | C6P | 0.9579 |
7 | EVM | 0.9563 |
8 | KOU | 0.9541 |
9 | L7N | 0.9509 |
10 | DCS | 0.9465 |
11 | CKT | 0.9392 |
12 | PLI | 0.9382 |
13 | F0G | 0.9353 |
14 | PMH | 0.9353 |
15 | PLP GLY | 0.9340 |
16 | 5PA | 0.9330 |
17 | 7TS | 0.9324 |
18 | MET PLP | 0.9201 |
19 | EPC | 0.9161 |
20 | MPM | 0.9156 |
21 | LCS | 0.9132 |
22 | IK2 | 0.9129 |
23 | PLP AOA | 0.9129 |
24 | PLP MET | 0.9110 |
25 | 4LM | 0.9087 |
26 | PM9 | 0.9071 |
27 | AN7 | 0.9069 |
28 | FEV | 0.9030 |
29 | 7XF | 0.8983 |
30 | PLA | 0.8945 |
31 | HCP | 0.8906 |
32 | KET | 0.8896 |
33 | PY5 | 0.8848 |
34 | 3QP | 0.8768 |
35 | ILP | 0.8721 |
36 | PGU | 0.8719 |
37 | 8JF | 0.8695 |
38 | PPE | 0.8693 |
39 | 07U | 0.8667 |
40 | FEJ | 0.8605 |
41 | 3LM | 0.8595 |
42 | PY6 | 0.8546 |
43 | 855 | 0.8539 |