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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 | GLY PLP | 1 | 1 |
2 | PLP ABU | 0.710145 | 0.943396 |
3 | PLP PUT | 0.633803 | 0.766667 |
4 | SER PLP | 0.633803 | 0.888889 |
5 | PLP ALO | 0.625 | 0.90566 |
6 | PLP 999 | 0.616438 | 0.90566 |
7 | PLP PHE | 0.548781 | 0.90566 |
8 | P89 | 0.54321 | 0.75 |
9 | 0JO | 0.541667 | 0.779661 |
10 | EXT | 0.535211 | 0.839286 |
11 | 4LM | 0.520548 | 0.793103 |
12 | Z98 | 0.512821 | 0.786885 |
13 | PLP PVH | 0.505747 | 0.75 |
14 | PLP 142 | 0.5 | 0.75 |
15 | PLP MYB | 0.5 | 0.676471 |
16 | P3D | 0.5 | 0.714286 |
17 | EVM | 0.5 | 0.827586 |
18 | F0G | 0.493333 | 0.836364 |
19 | KOU | 0.486842 | 0.810345 |
20 | FEV | 0.486842 | 0.779661 |
21 | EPC | 0.479452 | 0.8 |
22 | FEJ | 0.475 | 0.793103 |
23 | PL6 | 0.4625 | 0.824561 |
24 | HCP | 0.461538 | 0.721311 |
25 | MPM | 0.454545 | 0.758621 |
26 | PLP | 0.447761 | 0.745455 |
27 | PL5 | 0.447059 | 0.754098 |
28 | ASP PLP | 0.444444 | 0.888889 |
29 | 6DF | 0.444444 | 0.754386 |
30 | PZP | 0.441176 | 0.75 |
31 | FOO | 0.434211 | 0.789474 |
32 | 5DK | 0.431818 | 0.761905 |
33 | EQJ | 0.431818 | 0.761905 |
34 | PUS | 0.430233 | 0.691176 |
35 | P70 | 0.430233 | 0.807018 |
36 | PLP PMP | 0.428571 | 0.758621 |
37 | AN7 | 0.421053 | 0.75 |
38 | PLP 2KZ | 0.419753 | 0.783333 |
39 | PLP SER | 0.417722 | 0.783333 |
40 | PLP 0A0 | 0.409639 | 0.75 |
41 | PLP CYS | 0.402439 | 0.758065 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PLP GLY | 0.9999 |
2 | PLG | 0.9979 |
3 | P1T | 0.9845 |
4 | PLI | 0.9731 |
5 | PDA | 0.9665 |
6 | PP3 | 0.9520 |
7 | IK2 | 0.9477 |
8 | PLP AOA | 0.9477 |
9 | PLS | 0.9429 |
10 | LCS | 0.9332 |
11 | IN5 | 0.9290 |
12 | C6P | 0.9264 |
13 | 5PA | 0.9222 |
14 | DCS | 0.9191 |
15 | CKT | 0.9120 |
16 | PDD | 0.9102 |
17 | OJQ | 0.8915 |
18 | HM5 | 0.8868 |
19 | PMH | 0.8825 |
20 | 7TS | 0.8817 |
21 | 2BK | 0.8798 |
22 | 2BO | 0.8781 |
23 | PY5 | 0.8770 |
24 | 7XF | 0.8752 |
25 | 07U | 0.8723 |
26 | LF5 | 0.8703 |
27 | 7CU | 0.8689 |
28 | 3LM | 0.8681 |
29 | L7N | 0.8671 |
30 | MZC | 0.8664 |
31 | ILP | 0.8638 |
32 | AKB PLP | 0.8621 |
33 | LJW | 0.8620 |
34 | MET PLP | 0.8617 |
35 | PLP MET | 0.8607 |
36 | PY6 | 0.8604 |
37 | 2T4 | 0.8599 |
38 | TLP | 0.8593 |
39 | 8HH | 0.8579 |
40 | PM9 | 0.8578 |
41 | 6SC | 0.8539 |