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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 | MPM | 1 | 1 |
2 | EPC | 0.588235 | 0.942308 |
3 | EXT | 0.57971 | 0.875 |
4 | FEV | 0.569444 | 0.877193 |
5 | PLP | 0.564516 | 0.814815 |
6 | 4LM | 0.56338 | 0.859649 |
7 | 0JO | 0.56338 | 0.844828 |
8 | PZP | 0.555556 | 0.851852 |
9 | F0G | 0.555556 | 0.907407 |
10 | KOU | 0.547945 | 0.844828 |
11 | EVM | 0.540541 | 0.830508 |
12 | P3D | 0.540541 | 0.774194 |
13 | HCP | 0.540541 | 0.844828 |
14 | AN7 | 0.521127 | 0.785714 |
15 | 6DF | 0.519481 | 0.888889 |
16 | PL6 | 0.519481 | 0.859649 |
17 | FOO | 0.513889 | 0.824561 |
18 | FEJ | 0.512821 | 0.859649 |
19 | Z98 | 0.512821 | 0.790323 |
20 | P89 | 0.506024 | 0.809524 |
21 | LUH | 0.5 | 0.7 |
22 | PUS | 0.5 | 0.720588 |
23 | LUK | 0.5 | 0.7 |
24 | O1G | 0.494118 | 0.761905 |
25 | EQJ | 0.482353 | 0.765625 |
26 | 5DK | 0.482353 | 0.765625 |
27 | P70 | 0.481928 | 0.875 |
28 | PL5 | 0.481928 | 0.816667 |
29 | L7N | 0.469136 | 0.662162 |
30 | PFM | 0.45679 | 0.783333 |
31 | GLY PLP | 0.454545 | 0.758621 |
32 | PLP PUT | 0.45 | 0.741935 |
33 | PLR | 0.446154 | 0.830189 |
34 | PXP | 0.441176 | 0.741379 |
35 | Q0P | 0.43956 | 0.803279 |
36 | PLP ABU | 0.439024 | 0.75 |
37 | SER PLP | 0.432099 | 0.793103 |
38 | PLT | 0.430108 | 0.803279 |
39 | PLP ALO | 0.426829 | 0.807018 |
40 | PLP 999 | 0.421687 | 0.775862 |
41 | PMP | 0.414286 | 0.75 |
42 | P0P | 0.414286 | 0.781818 |
43 | GT1 | 0.408451 | 0.775862 |
44 | PLP MYB | 0.402174 | 0.731343 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PLS | 0.9224 |
2 | TLP | 0.9209 |
3 | PP3 | 0.9172 |
4 | PLP SER | 0.9156 |
5 | PDA | 0.9152 |
6 | PDD | 0.9144 |
7 | IN5 | 0.9118 |
8 | PLG | 0.9069 |
9 | PLI | 0.9027 |
10 | 2BK | 0.9022 |
11 | C6P | 0.9002 |
12 | DCS | 0.8977 |
13 | 2BO | 0.8958 |
14 | P1T | 0.8934 |
15 | 5PA | 0.8930 |
16 | PLP CYS | 0.8914 |
17 | CKT | 0.8914 |
18 | PLP 2TL | 0.8903 |
19 | PLP 2ML | 0.8889 |
20 | ILP | 0.8889 |
21 | IK2 | 0.8888 |
22 | PLP GLY | 0.8843 |
23 | 7TS | 0.8831 |
24 | LCS | 0.8769 |
25 | PLA | 0.8723 |
26 | 7XF | 0.8714 |
27 | OJQ | 0.8697 |
28 | PMH | 0.8680 |
29 | PY5 | 0.8661 |
30 | PLP 2KZ | 0.8658 |
31 | PPD | 0.8640 |
32 | ASP PLP | 0.8629 |
33 | KET | 0.8628 |
34 | 3QP | 0.8580 |
35 | PLP 0A0 | 0.8577 |