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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 GLY | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GLY PLP | 0.9999 |
2 | PLG | 0.9962 |
3 | P1T | 0.9811 |
4 | PLI | 0.9718 |
5 | PDA | 0.9700 |
6 | 0JO | 0.9616 |
7 | F0G | 0.9613 |
8 | PLP AOA | 0.9523 |
9 | IK2 | 0.9523 |
10 | PP3 | 0.9505 |
11 | PLP CYS | 0.9478 |
12 | PLS | 0.9432 |
13 | AN7 | 0.9411 |
14 | 4LM | 0.9351 |
15 | PLP SER | 0.9340 |
16 | EPC | 0.9331 |
17 | LCS | 0.9311 |
18 | SER PLP | 0.9309 |
19 | KOU | 0.9307 |
20 | C6P | 0.9305 |
21 | 5PA | 0.9267 |
22 | DCS | 0.9219 |
23 | FOO | 0.9209 |
24 | IN5 | 0.9201 |
25 | CKT | 0.9122 |
26 | PDD | 0.9068 |
27 | EVM | 0.8989 |
28 | PLP ALO | 0.8928 |
29 | OJQ | 0.8915 |
30 | HM5 | 0.8867 |
31 | MPM | 0.8843 |
32 | PMH | 0.8826 |
33 | HM4 | 0.8813 |
34 | PY5 | 0.8812 |
35 | PLP PUT | 0.8810 |
36 | 7XF | 0.8805 |
37 | 2BK | 0.8804 |
38 | 2BO | 0.8785 |
39 | 96X | 0.8770 |
40 | 695 | 0.8762 |
41 | AHG | 0.8739 |
42 | 3LM | 0.8717 |
43 | TLP | 0.8714 |
44 | MZC | 0.8696 |
45 | AFP | 0.8685 |
46 | L7N | 0.8670 |
47 | LF5 | 0.8663 |
48 | MET PLP | 0.8648 |
49 | ILP | 0.8642 |
50 | 7CU | 0.8627 |
51 | PLP MET | 0.8622 |
52 | PY6 | 0.8612 |
53 | LJW | 0.8612 |
54 | AKB PLP | 0.8585 |
55 | PM9 | 0.8582 |
56 | 8HH | 0.8538 |
57 | PLP 2TL | 0.8530 |
58 | IRG | 0.8529 |
59 | 6SC | 0.8522 |