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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 266 families. | |||||
1 | 5UNJ | Kd = 0.24 uM | RJW | C28 H34 O | CCCCCCC1=C.... |
2 | 4QJR | Kd = 80 nM | PIZ | C41 H82 O22 P4 | CCCCCCCCCC.... |
3 | 3F7D | - | P42 | C42 H88 N O8 P | CCCCCCCCCC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 220 families. | |||||
1 | 5UNJ | Kd = 0.24 uM | RJW | C28 H34 O | CCCCCCC1=C.... |
2 | 4QJR | Kd = 80 nM | PIZ | C41 H82 O22 P4 | CCCCCCCCCC.... |
3 | 3F7D | - | P42 | C42 H88 N O8 P | CCCCCCCCCC.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PIZ | 1 | 1 |
2 | IP9 | 0.985507 | 1 |
3 | 52N | 0.851351 | 0.979592 |
4 | PIO | 0.851351 | 0.979592 |
5 | PIF | 0.810811 | 0.979592 |
6 | PII | 0.783784 | 0.959184 |
7 | B7N | 0.719512 | 0.94 |
8 | PBU | 0.632911 | 0.918367 |
9 | LPP | 0.630137 | 0.875 |
10 | 3PH | 0.630137 | 0.875 |
11 | 7PH | 0.630137 | 0.875 |
12 | 6PH | 0.630137 | 0.875 |
13 | F57 | 0.630137 | 0.875 |
14 | T7X | 0.626374 | 0.94 |
15 | I35 | 0.623377 | 0.9375 |
16 | 7P9 | 0.621622 | 0.875 |
17 | CD4 | 0.615385 | 0.836735 |
18 | 3PE | 0.607595 | 0.706897 |
19 | PTY | 0.607595 | 0.706897 |
20 | PEH | 0.607595 | 0.706897 |
21 | PEF | 0.607595 | 0.706897 |
22 | PEV | 0.607595 | 0.706897 |
23 | 8PE | 0.607595 | 0.706897 |
24 | HGX | 0.604938 | 0.655738 |
25 | PLD | 0.604938 | 0.655738 |
26 | PX4 | 0.604938 | 0.655738 |
27 | PC7 | 0.604938 | 0.655738 |
28 | LIO | 0.604938 | 0.655738 |
29 | P5S | 0.604938 | 0.719298 |
30 | HGP | 0.604938 | 0.655738 |
31 | 6PL | 0.604938 | 0.655738 |
32 | PX2 | 0.6 | 0.816327 |
33 | PGT | 0.6 | 0.803922 |
34 | PEE | 0.6 | 0.694915 |
35 | 9PE | 0.6 | 0.706897 |
36 | PX8 | 0.6 | 0.816327 |
37 | LHG | 0.6 | 0.803922 |
38 | 5P5 | 0.592593 | 0.918367 |
39 | 8SP | 0.592593 | 0.719298 |
40 | PIB | 0.592593 | 0.918367 |
41 | PA8 | 0.586667 | 0.816327 |
42 | DB4 | 0.582278 | 0.918367 |
43 | PD7 | 0.581081 | 0.875 |
44 | D21 | 0.580247 | 0.857143 |
45 | LOP | 0.563218 | 0.694915 |
46 | 6OU | 0.563218 | 0.694915 |
47 | L9Q | 0.563218 | 0.694915 |
48 | PCW | 0.561798 | 0.645161 |
49 | XP5 | 0.560976 | 0.655738 |
50 | M7U | 0.560976 | 0.875 |
51 | PIE | 0.56044 | 0.882353 |
52 | CN3 | 0.55814 | 0.836735 |
53 | 4PT | 0.55814 | 0.9 |
54 | RXY | 0.556818 | 0.694915 |
55 | PGW | 0.556818 | 0.788462 |
56 | D3D | 0.556818 | 0.788462 |
57 | DR9 | 0.550562 | 0.788462 |
58 | PGV | 0.550562 | 0.788462 |
59 | P6L | 0.544444 | 0.788462 |
60 | TGL | 0.542857 | 0.604167 |
61 | OZ2 | 0.538462 | 0.788462 |
62 | P50 | 0.538462 | 0.719298 |
63 | CN6 | 0.534884 | 0.836735 |
64 | ZPE | 0.533333 | 0.694915 |
65 | 44E | 0.533333 | 0.875 |
66 | PCK | 0.532609 | 0.625 |
67 | CDL | 0.53012 | 0.76 |
68 | PGK | 0.527473 | 0.759259 |
69 | DGG | 0.526882 | 0.826923 |
70 | PC1 | 0.523256 | 0.616667 |
71 | MC3 | 0.523256 | 0.616667 |
72 | PCF | 0.523256 | 0.616667 |
73 | PSC | 0.520833 | 0.645161 |
74 | PSF | 0.518072 | 0.719298 |
75 | HXG | 0.518072 | 0.655738 |
76 | GP7 | 0.515789 | 0.694915 |
77 | 44G | 0.512195 | 0.803922 |
78 | PG8 | 0.505882 | 0.769231 |
79 | PEK | 0.494737 | 0.694915 |
80 | L9R | 0.489362 | 0.606557 |
81 | POV | 0.489362 | 0.606557 |
82 | LBN | 0.489362 | 0.606557 |
83 | PDK | 0.485437 | 0.621212 |
84 | AGA | 0.477273 | 0.769231 |
85 | 3PI | 0.477273 | 0.918367 |
86 | FAW | 0.473684 | 0.612245 |
87 | 1EM | 0.473684 | 0.612245 |
88 | L2C | 0.473684 | 0.612245 |
89 | DGA | 0.473684 | 0.612245 |
90 | DDR | 0.473684 | 0.612245 |
91 | 1O2 | 0.469388 | 0.672727 |
92 | 3TF | 0.464646 | 0.672727 |
93 | DGD | 0.464646 | 0.690909 |
94 | P3A | 0.463918 | 0.754717 |
95 | EPH | 0.451923 | 0.694915 |
96 | SQD | 0.447917 | 0.703125 |
97 | DLP | 0.435644 | 0.606557 |
98 | 1L2 | 0.433962 | 0.672727 |
99 | GGD | 0.427273 | 0.678571 |
100 | NKN | 0.425 | 0.836735 |
101 | NKO | 0.425 | 0.836735 |
102 | LPC | 0.41573 | 0.66129 |
103 | K6G | 0.41573 | 0.66129 |
104 | LP3 | 0.41573 | 0.66129 |
105 | LAP | 0.41573 | 0.66129 |
106 | LPX | 0.413793 | 0.689655 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4qjr.bio1) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |