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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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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 1331 families. | |||||
1 | 3B7Q | - | 6PL | C42 H85 N O8 P | CCCCCCCCCC.... |
2 | 3B74 | - | PEE | C41 H83 N O8 P | CCCCCCCCCC.... |
3 | 3B7N | - | B7N | C45 H85 O13 P | CCCCCCCCCC.... |
4 | 3Q8G | - | PEE | C41 H83 N O8 P | CCCCCCCCCC.... |
5 | 3B7Z | - | B7N | C45 H85 O13 P | CCCCCCCCCC.... |
6 | 1AUA | - | BOG | C14 H28 O6 | CCCCCCCCO[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 3B7Q | - | 6PL | C42 H85 N O8 P | CCCCCCCCCC.... |
2 | 3B74 | - | PEE | C41 H83 N O8 P | CCCCCCCCCC.... |
3 | 3B7N | - | B7N | C45 H85 O13 P | CCCCCCCCCC.... |
4 | 3Q8G | - | PEE | C41 H83 N O8 P | CCCCCCCCCC.... |
5 | 3B7Z | - | B7N | C45 H85 O13 P | CCCCCCCCCC.... |
6 | 1AUA | - | BOG | C14 H28 O6 | CCCCCCCCO[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PEE | 1 | 1 |
2 | PEH | 0.8 | 0.980769 |
3 | PEF | 0.8 | 0.980769 |
4 | PEV | 0.8 | 0.980769 |
5 | PTY | 0.8 | 0.980769 |
6 | 8PE | 0.8 | 0.980769 |
7 | 3PE | 0.8 | 0.980769 |
8 | 9PE | 0.787879 | 0.980769 |
9 | 6PL | 0.764706 | 0.810345 |
10 | HGX | 0.764706 | 0.810345 |
11 | PC7 | 0.764706 | 0.810345 |
12 | LIO | 0.764706 | 0.810345 |
13 | PX4 | 0.764706 | 0.810345 |
14 | HGP | 0.764706 | 0.810345 |
15 | PLD | 0.764706 | 0.810345 |
16 | CD4 | 0.757576 | 0.807692 |
17 | LHG | 0.735294 | 0.811321 |
18 | PGT | 0.735294 | 0.811321 |
19 | P5S | 0.714286 | 0.888889 |
20 | XP5 | 0.710145 | 0.810345 |
21 | 6PH | 0.703125 | 0.773585 |
22 | LPP | 0.703125 | 0.773585 |
23 | F57 | 0.703125 | 0.773585 |
24 | 3PH | 0.703125 | 0.773585 |
25 | 7PH | 0.703125 | 0.773585 |
26 | 6OU | 0.702703 | 0.962264 |
27 | LOP | 0.702703 | 0.962264 |
28 | L9Q | 0.702703 | 0.962264 |
29 | 8SP | 0.7 | 0.888889 |
30 | RXY | 0.693333 | 0.962264 |
31 | PX2 | 0.692308 | 0.788462 |
32 | PX8 | 0.692308 | 0.788462 |
33 | 7P9 | 0.692308 | 0.773585 |
34 | PA8 | 0.676923 | 0.788462 |
35 | CN3 | 0.675676 | 0.807692 |
36 | PCW | 0.675325 | 0.79661 |
37 | ZPE | 0.662338 | 0.962264 |
38 | PCK | 0.658228 | 0.770492 |
39 | HXG | 0.657143 | 0.810345 |
40 | PGW | 0.649351 | 0.796296 |
41 | D3D | 0.649351 | 0.796296 |
42 | CN6 | 0.648649 | 0.807692 |
43 | PII | 0.648649 | 0.694915 |
44 | PD7 | 0.646154 | 0.773585 |
45 | PGV | 0.641026 | 0.796296 |
46 | DR9 | 0.641026 | 0.796296 |
47 | GP7 | 0.634146 | 0.962264 |
48 | PGK | 0.632911 | 0.767857 |
49 | P6L | 0.632911 | 0.796296 |
50 | PEK | 0.62963 | 0.962264 |
51 | 44G | 0.628571 | 0.811321 |
52 | OZ2 | 0.625 | 0.796296 |
53 | P50 | 0.625 | 0.888889 |
54 | PSC | 0.619048 | 0.79661 |
55 | M7U | 0.616438 | 0.773585 |
56 | D21 | 0.616438 | 0.759259 |
57 | PSF | 0.611111 | 0.888889 |
58 | PIF | 0.61039 | 0.683333 |
59 | DGG | 0.609756 | 0.767857 |
60 | CDL | 0.60274 | 0.769231 |
61 | PIZ | 0.6 | 0.694915 |
62 | 44E | 0.590909 | 0.773585 |
63 | IP9 | 0.5875 | 0.694915 |
64 | 52N | 0.5875 | 0.683333 |
65 | PIO | 0.5875 | 0.683333 |
66 | B7N | 0.578313 | 0.683333 |
67 | PG8 | 0.573333 | 0.811321 |
68 | PCF | 0.571429 | 0.741379 |
69 | MC3 | 0.571429 | 0.741379 |
70 | PC1 | 0.571429 | 0.741379 |
71 | PDK | 0.571429 | 0.819672 |
72 | 8ND | 0.557143 | 0.716981 |
73 | AGA | 0.538462 | 0.811321 |
74 | EPH | 0.532609 | 0.962264 |
75 | LPX | 0.527027 | 0.961538 |
76 | PIE | 0.517241 | 0.666667 |
77 | T7X | 0.516484 | 0.683333 |
78 | POV | 0.511628 | 0.728814 |
79 | LBN | 0.511628 | 0.728814 |
80 | L9R | 0.511628 | 0.728814 |
81 | LPC | 0.506494 | 0.844828 |
82 | LAP | 0.506494 | 0.844828 |
83 | K6G | 0.506494 | 0.844828 |
84 | LP3 | 0.506494 | 0.844828 |
85 | P3A | 0.5 | 0.796296 |
86 | CN5 | 0.481013 | 0.826923 |
87 | NKO | 0.464789 | 0.773585 |
88 | NKN | 0.464789 | 0.773585 |
89 | 42H | 0.453488 | 0.830508 |
90 | DLP | 0.451613 | 0.728814 |
91 | S12 | 0.425287 | 0.854545 |
92 | 43Y | 0.421053 | 0.775862 |
93 | PC5 | 0.419753 | 0.66129 |
94 | NKP | 0.4125 | 0.759259 |
95 | PCJ | 0.409091 | 0.661017 |
96 | PGM | 0.405063 | 0.792453 |
97 | DB4 | 0.402439 | 0.633333 |
98 | I35 | 0.402439 | 0.644068 |
99 | PBU | 0.4 | 0.633333 |
100 | 3PC | 0.4 | 0.724138 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 3q8g.bio1) has 52 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |