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- Structure Biounit | Ligand Information
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 8 families. | |||||
1 | 2VD9 | - | EPC | C10 H16 N2 O8 P2 | Cc1c(c(c(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 1BD0 | - | IN5 | C10 H18 N2 O8 P2 | Cc1c(c(c(c.... |
2 | 1XQK | - | PMH | C11 H14 N3 O7 P | Cc1c(c(c(c.... |
3 | 1XQL | - | PLP | C8 H10 N O6 P | Cc1c(c(c(c.... |
4 | 1FTX | - | EPC | C10 H16 N2 O8 P2 | Cc1c(c(c(c.... |
5 | 2SFP | Ki = 20 mM | PPI | C3 H6 O2 | CCC(=O)O |
6 | 1L6G | - | PDD | C11 H17 N2 O7 P | Cc1c(c(c(c.... |
7 | 1NIU | Ki = 0.08 uM | DCS | C11 H16 N3 O7 P | Cc1c(c(c(c.... |
8 | 1L6F | - | PP3 | C11 H17 N2 O7 P | Cc1c(c(c(c.... |
9 | 1VFT | - | DCS | C11 H16 N3 O7 P | Cc1c(c(c(c.... |
10 | 2VD9 | - | EPC | C10 H16 N2 O8 P2 | Cc1c(c(c(c.... |
11 | 6SCZ | - | OJQ | C11 H15 N3 O7 P | Cc1c(c(c(c.... |
12 | 3E5P | - | PPI | C3 H6 O2 | CCC(=O)O |
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 | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | IN5 | 1 | 1 |
2 | PP3 | 0.703125 | 0.965517 |
3 | PDD | 0.703125 | 0.965517 |
4 | PDA | 0.703125 | 0.965517 |
5 | TLP | 0.681818 | 0.932203 |
6 | 2BK | 0.681818 | 0.932203 |
7 | 2BO | 0.681818 | 0.932203 |
8 | C6P | 0.671642 | 0.885246 |
9 | PLS | 0.656716 | 0.885246 |
10 | PPD | 0.647059 | 0.885246 |
11 | ILP | 0.642857 | 0.901639 |
12 | PY5 | 0.637681 | 0.859375 |
13 | PLG | 0.630769 | 0.885246 |
14 | 7XF | 0.619718 | 0.857143 |
15 | PGU | 0.619718 | 0.857143 |
16 | PDG | 0.619718 | 0.857143 |
17 | 33P | 0.617647 | 0.915254 |
18 | QLP | 0.611111 | 0.80597 |
19 | LPI | 0.611111 | 0.848485 |
20 | P1T | 0.602941 | 0.84375 |
21 | 76U | 0.60274 | 0.815385 |
22 | PY6 | 0.60274 | 0.861538 |
23 | ORX | 0.594595 | 0.84375 |
24 | N5F | 0.594595 | 0.84375 |
25 | PE1 | 0.586667 | 0.84375 |
26 | 5PA | 0.585714 | 0.84375 |
27 | PXP | 0.583333 | 0.842105 |
28 | KAM | 0.576923 | 0.873016 |
29 | PMP | 0.57377 | 0.912281 |
30 | 0PR | 0.571429 | 0.870968 |
31 | PL4 | 0.571429 | 0.84375 |
32 | IK2 | 0.571429 | 0.815385 |
33 | GT1 | 0.564516 | 0.783333 |
34 | PMH | 0.56338 | 0.736111 |
35 | CBA | 0.554054 | 0.857143 |
36 | PLA | 0.547945 | 0.888889 |
37 | DCS | 0.546667 | 0.72973 |
38 | 7TS | 0.533333 | 0.72 |
39 | EA5 | 0.532468 | 0.818182 |
40 | AQ3 | 0.53012 | 0.830769 |
41 | PMG | 0.526316 | 0.861538 |
42 | PL2 | 0.526316 | 0.776119 |
43 | HEY | 0.519481 | 0.830769 |
44 | 3LM | 0.512821 | 0.833333 |
45 | PSZ | 0.512821 | 0.791045 |
46 | 9YM | 0.506329 | 0.828125 |
47 | RW2 | 0.493827 | 0.791045 |
48 | PXG | 0.493827 | 0.854839 |
49 | PL8 | 0.487805 | 0.75 |
50 | 7B9 | 0.47619 | 0.782609 |
51 | DN9 | 0.47619 | 0.760563 |
52 | PLP | 0.46875 | 0.758621 |
53 | PLR | 0.467742 | 0.803571 |
54 | OJQ | 0.467532 | 0.716216 |
55 | CKT | 0.466667 | 0.83871 |
56 | EPC | 0.458333 | 0.810345 |
57 | P0P | 0.454545 | 0.758621 |
58 | PZP | 0.439394 | 0.793103 |
59 | PLP 2KZ | 0.435897 | 0.822581 |
60 | LCS | 0.432099 | 0.671053 |
61 | CAN PLP | 0.428571 | 0.764706 |
62 | PLP PMP | 0.426471 | 0.862069 |
63 | F0G | 0.415584 | 0.783333 |
64 | PLP SER | 0.415584 | 0.883333 |
65 | 0LD | 0.412371 | 0.630952 |
66 | 0JO | 0.402597 | 0.707692 |
67 | PPG | 0.402299 | 0.787879 |
68 | PLP CYS | 0.4 | 0.825397 |
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 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PLP AOA | 0.9409 |
2 | AN7 | 0.9346 |
3 | PLI | 0.9317 |
4 | SER PLP | 0.9298 |
5 | GLY PLP | 0.9290 |
6 | PLP ALO | 0.9258 |
7 | FOO | 0.9235 |
8 | PLP GLY | 0.9201 |
9 | L7N | 0.9173 |
10 | EVM | 0.9155 |
11 | KOU | 0.9136 |
12 | 4LM | 0.9125 |
13 | MPM | 0.9118 |
14 | HCP | 0.8763 |
15 | PLP 2TL | 0.8686 |
16 | 07U | 0.8685 |
17 | ASP PLP | 0.8682 |
18 | KET | 0.8682 |
19 | PM9 | 0.8609 |
This union binding pocket(no: 1) in the query (biounit: 2vd9.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2vd9.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2vd9.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2vd9.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |