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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 | HCP | 1 | 1 |
2 | EPC | 0.571429 | 0.857143 |
3 | EXT | 0.56338 | 0.862069 |
4 | 4LM | 0.547945 | 0.786885 |
5 | 0JO | 0.547945 | 0.803279 |
6 | PLP | 0.546875 | 0.77193 |
7 | F0G | 0.540541 | 0.827586 |
8 | MPM | 0.540541 | 0.844828 |
9 | PZP | 0.538462 | 0.807018 |
10 | FEV | 0.533333 | 0.774194 |
11 | KOU | 0.533333 | 0.803279 |
12 | EVM | 0.526316 | 0.790323 |
13 | P3D | 0.526316 | 0.852459 |
14 | 6DF | 0.506329 | 0.810345 |
15 | PL6 | 0.506329 | 0.847458 |
16 | FEJ | 0.5 | 0.786885 |
17 | Z98 | 0.5 | 0.78125 |
18 | P89 | 0.494118 | 0.8 |
19 | LUK | 0.488372 | 0.671233 |
20 | LUH | 0.488372 | 0.671233 |
21 | O1G | 0.482759 | 0.753846 |
22 | PUS | 0.470588 | 0.690141 |
23 | P70 | 0.470588 | 0.830508 |
24 | PL5 | 0.470588 | 0.836066 |
25 | AN7 | 0.466667 | 0.745763 |
26 | GLY PLP | 0.461538 | 0.721311 |
27 | FOO | 0.460526 | 0.783333 |
28 | EQJ | 0.454545 | 0.784615 |
29 | 5DK | 0.454545 | 0.784615 |
30 | PLP ABU | 0.445783 | 0.770492 |
31 | L7N | 0.440476 | 0.68 |
32 | PLP PUT | 0.439024 | 0.790323 |
33 | SER PLP | 0.439024 | 0.754098 |
34 | PLT | 0.43617 | 0.793651 |
35 | PLP ALO | 0.433735 | 0.737705 |
36 | PLR | 0.432836 | 0.754386 |
37 | Q0P | 0.430108 | 0.793651 |
38 | PLP 999 | 0.428571 | 0.737705 |
39 | PFM | 0.411765 | 0.746032 |
40 | PXP | 0.408451 | 0.733333 |
41 | P0P | 0.402778 | 0.741379 |
42 | PMP | 0.402778 | 0.741935 |
43 | PLP PHE | 0.402174 | 0.737705 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | TLP | 0.9218 |
2 | PLS | 0.9134 |
3 | 5PA | 0.9111 |
4 | PLP 2KZ | 0.9108 |
5 | PLP BH2 | 0.9066 |
6 | ILP | 0.9039 |
7 | KET | 0.9028 |
8 | PLP 2TL | 0.9006 |
9 | PY5 | 0.8962 |
10 | 2BK | 0.8950 |
11 | PDA | 0.8928 |
12 | 2BO | 0.8914 |
13 | PLP SER | 0.8906 |
14 | PPD | 0.8904 |
15 | C6P | 0.8903 |
16 | PLA | 0.8892 |
17 | PLP CYS | 0.8890 |
18 | PM9 | 0.8877 |
19 | LCS | 0.8850 |
20 | DCS | 0.8838 |
21 | PLP 2ML | 0.8835 |
22 | PPE | 0.8826 |
23 | CBA | 0.8812 |
24 | PLP 0A0 | 0.8793 |
25 | P1T | 0.8786 |
26 | PP3 | 0.8779 |
27 | LEU PLP | 0.8776 |
28 | PDD | 0.8766 |
29 | IN5 | 0.8763 |
30 | 7XF | 0.8747 |
31 | CKT | 0.8738 |
32 | PLI | 0.8660 |
33 | PGU | 0.8622 |
34 | PY6 | 0.8605 |
35 | ASP PLP | 0.8562 |
36 | OJQ | 0.8559 |
37 | 3QP | 0.8545 |