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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 4 families. | |||||
1 | 2Q3D | - | PDA | C11 H17 N2 O7 P | Cc1c(c(c(c.... |
2 | 2Q3C | Ki = 5 uM | ASP PHE SER ILE | n/a | n/a |
3 | 3ZEI | ic50 = 0.103 uM | AWH | C20 H16 N2 O6 S | CN1C(=O)/C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1Y7L | Ki = 130 nM | GLY ILE ASP ASP GLY MET ASN LEU ASN ILE | n/a | n/a |
2 | 3IQG | Kd = 24.9 uM | MET ASN TRP ASN ILE | n/a | n/a |
3 | 3IQH | Kd = 25.8 uM | MET ASN TYR ASP ILE | n/a | n/a |
4 | 3IQI | Kd = 38.7 uM | MET ASN GLU ASN ILE | n/a | n/a |
5 | 4LMB | Kd = 186 uM | CYS CYS | n/a | n/a |
6 | 5I7A | Kd = 0.32 uM | 68Q | C14 H10 Cl2 N2 O3 | c1cc(cc(c1.... |
7 | 5I7R | Kd = 1.7 uM | 68W | C20 H16 N2 O3 | c1ccc(cc1).... |
8 | 5I7O | Kd = 3.4 uM | S16 | C14 H11 Cl N2 O3 | c1cc(cc(c1.... |
9 | 5I6D | Kd = 8 uM | AU6 | C15 H14 N2 O3 | Cc1ccc(cc1.... |
10 | 5IW8 | Kd = 2.2 uM | 6EC | C20 H16 N2 O4 | c1ccc(cc1).... |
11 | 3X44 | - | PUS | C12 H17 N4 O9 P | Cc1c(c(c(c.... |
12 | 2Q3D | - | PDA | C11 H17 N2 O7 P | Cc1c(c(c(c.... |
13 | 2Q3C | Ki = 5 uM | ASP PHE SER ILE | n/a | n/a |
14 | 3ZEI | ic50 = 0.103 uM | AWH | C20 H16 N2 O6 S | CN1C(=O)/C.... |
15 | 4IL5 | - | ILE | C6 H13 N O2 | CC[C@H](C).... |
16 | 4JBN | - | SER PRO SER ILE | n/a | n/a |
17 | 4JBL | Kd = 0.54 mM | MET | C5 H11 N O2 S | CSCC[C@@H].... |
18 | 3BM5 | Kd = 1.1 mM | CYS | C3 H7 N O2 S | C([C@@H](C.... |
19 | 1D6S | Kd = 78 uM | MET PLP | n/a | n/a |
20 | 3VC3 | - | C6P | C11 H17 N2 O7 P S | Cc1c(c(c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PP3 | 1 | 1 |
2 | PDA | 1 | 1 |
3 | PDD | 1 | 1 |
4 | TLP | 0.753846 | 0.966102 |
5 | 2BO | 0.753846 | 0.966102 |
6 | 2BK | 0.753846 | 0.966102 |
7 | PLS | 0.727273 | 0.918033 |
8 | C6P | 0.716418 | 0.918033 |
9 | PPD | 0.716418 | 0.918033 |
10 | ILP | 0.710145 | 0.934426 |
11 | PY5 | 0.705882 | 0.890625 |
12 | IN5 | 0.703125 | 0.965517 |
13 | PGU | 0.685714 | 0.888889 |
14 | PDG | 0.685714 | 0.888889 |
15 | 7XF | 0.685714 | 0.888889 |
16 | KAM | 0.68 | 0.904762 |
17 | LPI | 0.676056 | 0.878788 |
18 | QLP | 0.676056 | 0.835821 |
19 | PY6 | 0.666667 | 0.892308 |
20 | N5F | 0.657534 | 0.875 |
21 | ORX | 0.657534 | 0.875 |
22 | 0PR | 0.653333 | 0.903226 |
23 | PLG | 0.651515 | 0.918033 |
24 | PE1 | 0.648649 | 0.875 |
25 | 76U | 0.643836 | 0.846154 |
26 | CBA | 0.638889 | 0.888889 |
27 | PL4 | 0.631579 | 0.875 |
28 | P1T | 0.623188 | 0.875 |
29 | 33P | 0.614286 | 0.885246 |
30 | IK2 | 0.614286 | 0.846154 |
31 | 5PA | 0.605634 | 0.875 |
32 | EA5 | 0.592105 | 0.848485 |
33 | PLA | 0.589041 | 0.920635 |
34 | AQ3 | 0.585366 | 0.861538 |
35 | PMG | 0.565789 | 0.892308 |
36 | HEY | 0.558442 | 0.861538 |
37 | PXP | 0.555556 | 0.813559 |
38 | PSZ | 0.551282 | 0.820895 |
39 | 3LM | 0.551282 | 0.863636 |
40 | PMP | 0.546875 | 0.881356 |
41 | PMH | 0.540541 | 0.716216 |
42 | GT1 | 0.538462 | 0.758065 |
43 | PXG | 0.530864 | 0.887097 |
44 | RW2 | 0.530864 | 0.820895 |
45 | PL2 | 0.525641 | 0.753623 |
46 | 7TS | 0.512821 | 0.723684 |
47 | DN9 | 0.511905 | 0.788732 |
48 | CKT | 0.506667 | 0.870968 |
49 | DCS | 0.506329 | 0.733333 |
50 | 9YM | 0.506173 | 0.80303 |
51 | F0G | 0.473684 | 0.816667 |
52 | PL8 | 0.470588 | 0.753425 |
53 | 7B9 | 0.45977 | 0.785714 |
54 | PLP 2KZ | 0.455696 | 0.854839 |
55 | OJQ | 0.45 | 0.697368 |
56 | KOU | 0.448718 | 0.822581 |
57 | PLR | 0.446154 | 0.775862 |
58 | 0JO | 0.441558 | 0.738462 |
59 | FEJ | 0.439024 | 0.806452 |
60 | PPG | 0.436782 | 0.818182 |
61 | P0P | 0.434783 | 0.762712 |
62 | RMT | 0.431818 | 0.787879 |
63 | CAN PLP | 0.430233 | 0.794118 |
64 | PLP PMP | 0.428571 | 0.833333 |
65 | 1D0 | 0.428571 | 0.848485 |
66 | PL6 | 0.426829 | 0.75 |
67 | PLP | 0.426471 | 0.762712 |
68 | EVM | 0.425 | 0.809524 |
69 | 4LM | 0.423077 | 0.777778 |
70 | Z98 | 0.421687 | 0.8 |
71 | EPC | 0.421053 | 0.783333 |
72 | AN7 | 0.421053 | 0.766667 |
73 | PZP | 0.42029 | 0.766667 |
74 | PLP SER | 0.417722 | 0.916667 |
75 | LCS | 0.416667 | 0.675325 |
76 | FOO | 0.415584 | 0.803279 |
77 | 0LD | 0.414141 | 0.635294 |
78 | PUS | 0.413793 | 0.684932 |
79 | FEV | 0.4125 | 0.765625 |
80 | PFM | 0.404762 | 0.793651 |
81 | GAB PLP | 0.404494 | 0.84127 |
82 | PLP CYS | 0.402439 | 0.857143 |
83 | 5DK | 0.4 | 0.776119 |
84 | EQJ | 0.4 | 0.776119 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PLI | 0.9914 |
2 | PLP GLY | 0.9700 |
3 | GLY PLP | 0.9665 |
4 | PLP AOA | 0.9641 |
5 | SER PLP | 0.9544 |
6 | L7N | 0.9509 |
7 | PLP ALO | 0.9283 |
8 | MET PLP | 0.9159 |
9 | PM9 | 0.9154 |
10 | MPM | 0.9152 |
11 | PLP MET | 0.9142 |
12 | 07U | 0.9068 |
13 | PLP 2TL | 0.9036 |
14 | PLP PUT | 0.9005 |
15 | HCP | 0.8928 |
16 | PLP 2ML | 0.8912 |
17 | 6DF | 0.8867 |
18 | KET | 0.8813 |
19 | 855 | 0.8726 |
20 | 2T4 | 0.8712 |
21 | ASP PLP | 0.8695 |
22 | LEU PLP | 0.8693 |
23 | IRG | 0.8685 |
24 | 5F3 | 0.8671 |
25 | G16 | 0.8634 |
26 | 6SC | 0.8630 |
27 | KB8 | 0.8622 |
28 | 6JJ | 0.8617 |
29 | SER A2G | 0.8615 |
30 | 3QP | 0.8611 |
31 | 7CU | 0.8590 |
32 | UI2 | 0.8575 |
33 | ROL | 0.8565 |
This union binding pocket(no: 1) in the query (biounit: 3zei.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5B3A | 0JO | 45.8064 |
2 | 5B3A | 0JO | 45.8064 |
This union binding pocket(no: 2) in the query (biounit: 3zei.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |