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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 1 families. | |||||
1 | 1D7U | - | LCS | C11 H14 N3 O7 P | Cc1c(c(c(c.... |
2 | 1M0O | Ki = 4.9 mM | MPM | C12 H20 N2 O8 P2 | CC[C@](C)(.... |
3 | 1M0N | Ki = 6 mM | HCP | C13 H20 N2 O8 P2 | Cc1c(c(c(c.... |
4 | 1M0Q | Ki = 1.1 mM | EPC | C10 H16 N2 O8 P2 | Cc1c(c(c(c.... |
5 | 1ZC9 | Kd = 0.6 mM | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
6 | 1D7R | - | 5PA | C12 H17 N2 O7 P | Cc1c(c(c(c.... |
7 | 1D7S | - | DCS | C11 H16 N3 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 2 families. | |||||
1 | 6G4E | - | PLP ACA | n/a | n/a |
2 | 4B9B | - | PLP | C8 H10 N O6 P | Cc1c(c(c(c.... |
3 | 4B98 | - | PXG | C15 H17 N2 O7 P | Cc1c(c(c(c.... |
4 | 6IO1 | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
5 | 1SZS | - | PLP | C8 H10 N O6 P | Cc1c(c(c(c.... |
6 | 1SFF | - | IK2 | C10 H15 N2 O8 P | Cc1c(c(c(c.... |
7 | 3A8U | - | PLP | C8 H10 N O6 P | Cc1c(c(c(c.... |
8 | 1D7U | - | LCS | C11 H14 N3 O7 P | Cc1c(c(c(c.... |
9 | 1M0O | Ki = 4.9 mM | MPM | C12 H20 N2 O8 P2 | CC[C@](C)(.... |
10 | 1M0N | Ki = 6 mM | HCP | C13 H20 N2 O8 P2 | Cc1c(c(c(c.... |
11 | 1M0Q | Ki = 1.1 mM | EPC | C10 H16 N2 O8 P2 | Cc1c(c(c(c.... |
12 | 1ZC9 | Kd = 0.6 mM | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
13 | 1D7R | - | 5PA | C12 H17 N2 O7 P | Cc1c(c(c(c.... |
14 | 1D7S | - | DCS | C11 H16 N3 O7 P | Cc1c(c(c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | EPC | 1 | 1 |
2 | F0G | 0.714286 | 0.960784 |
3 | KOU | 0.676923 | 0.857143 |
4 | 6DF | 0.661765 | 0.941176 |
5 | FEJ | 0.652174 | 0.907407 |
6 | PL6 | 0.637681 | 0.872727 |
7 | EXT | 0.615385 | 0.888889 |
8 | PL5 | 0.608108 | 0.827586 |
9 | P70 | 0.608108 | 0.888889 |
10 | PLP | 0.603448 | 0.862745 |
11 | 0JO | 0.597015 | 0.857143 |
12 | 4LM | 0.597015 | 0.907407 |
13 | PZP | 0.59322 | 0.901961 |
14 | MPM | 0.588235 | 0.942308 |
15 | PUS | 0.586667 | 0.727273 |
16 | 5DK | 0.584416 | 0.774194 |
17 | EQJ | 0.584416 | 0.774194 |
18 | FEV | 0.57971 | 0.890909 |
19 | EVM | 0.571429 | 0.842105 |
20 | HCP | 0.571429 | 0.857143 |
21 | P3D | 0.571429 | 0.783333 |
22 | Z98 | 0.561644 | 0.8 |
23 | PLT | 0.554217 | 0.813559 |
24 | PLP ALO | 0.547945 | 0.851852 |
25 | SER PLP | 0.534247 | 0.803571 |
26 | Q0P | 0.53012 | 0.813559 |
27 | AN7 | 0.529412 | 0.830189 |
28 | PLP 999 | 0.52 | 0.818182 |
29 | FOO | 0.5 | 0.87037 |
30 | P89 | 0.493827 | 0.790323 |
31 | LUH | 0.487805 | 0.705882 |
32 | LUK | 0.487805 | 0.705882 |
33 | PLP PHE | 0.481928 | 0.785714 |
34 | O1G | 0.481928 | 0.8 |
35 | GLY PLP | 0.479452 | 0.8 |
36 | PLR | 0.47541 | 0.88 |
37 | PLP PUT | 0.473684 | 0.75 |
38 | PLP ABU | 0.461538 | 0.758621 |
39 | P0P | 0.461538 | 0.826923 |
40 | PFM | 0.461538 | 0.793103 |
41 | IN5 | 0.458333 | 0.810345 |
42 | PLP MYB | 0.453488 | 0.686567 |
43 | PXP | 0.446154 | 0.781818 |
44 | PLP PVH | 0.443182 | 0.734375 |
45 | PMP | 0.439394 | 0.789474 |
46 | L7N | 0.4375 | 0.666667 |
47 | GT1 | 0.432836 | 0.785714 |
48 | PP3 | 0.421053 | 0.783333 |
49 | PDA | 0.421053 | 0.783333 |
50 | PDD | 0.421053 | 0.783333 |
51 | 2BK | 0.410256 | 0.783333 |
52 | PLS | 0.410256 | 0.741935 |
53 | TLP | 0.410256 | 0.783333 |
54 | 2BO | 0.410256 | 0.783333 |
55 | C6P | 0.405063 | 0.741935 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | IK2 | 0.9482 |
2 | PLP AOA | 0.9482 |
3 | PLG | 0.9406 |
4 | PLI | 0.9376 |
5 | DCS | 0.9361 |
6 | P1T | 0.9361 |
7 | OJQ | 0.9338 |
8 | PLP GLY | 0.9331 |
9 | 5PA | 0.9214 |
10 | PMH | 0.9205 |
11 | PLP 2TL | 0.9177 |
12 | PLP SER | 0.9161 |
13 | LCS | 0.9154 |
14 | 7TS | 0.9148 |
15 | PLP CYS | 0.8987 |
16 | CKT | 0.8823 |
17 | PY5 | 0.8791 |
18 | ASP PLP | 0.8752 |
19 | PPD | 0.8752 |
20 | 7XF | 0.8734 |
21 | ILP | 0.8734 |
22 | 3LM | 0.8572 |