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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 1331 families. | |||||
1 | 1T27 | - | PCW | C44 H85 N O8 P | CCCCCCCCC=.... |
2 | 2A1L | - | PCW | C44 H85 N O8 P | CCCCCCCCC=.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 1T27 | - | PCW | C44 H85 N O8 P | CCCCCCCCC=.... |
2 | 2A1L | - | PCW | C44 H85 N O8 P | CCCCCCCCC=.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PCW | 1 | 1 |
2 | PSC | 0.884615 | 1 |
3 | PLD | 0.871429 | 0.981481 |
4 | HGP | 0.871429 | 0.981481 |
5 | HGX | 0.871429 | 0.981481 |
6 | LIO | 0.871429 | 0.981481 |
7 | PX4 | 0.871429 | 0.981481 |
8 | 6PL | 0.871429 | 0.981481 |
9 | PC7 | 0.871429 | 0.981481 |
10 | 6OU | 0.826667 | 0.79661 |
11 | L9Q | 0.826667 | 0.79661 |
12 | LOP | 0.826667 | 0.79661 |
13 | XP5 | 0.816901 | 0.981481 |
14 | RXY | 0.815789 | 0.79661 |
15 | ZPE | 0.782051 | 0.79661 |
16 | HXG | 0.763889 | 0.981481 |
17 | LBN | 0.7625 | 0.925926 |
18 | L9R | 0.7625 | 0.925926 |
19 | POV | 0.7625 | 0.925926 |
20 | PCK | 0.753086 | 0.929825 |
21 | D3D | 0.746835 | 0.706897 |
22 | PGW | 0.746835 | 0.706897 |
23 | PGV | 0.7375 | 0.706897 |
24 | DR9 | 0.7375 | 0.706897 |
25 | P6L | 0.728395 | 0.706897 |
26 | GP7 | 0.72619 | 0.79661 |
27 | 42H | 0.721519 | 0.964286 |
28 | D21 | 0.72 | 0.732143 |
29 | P50 | 0.719512 | 0.762712 |
30 | OZ2 | 0.719512 | 0.706897 |
31 | PEH | 0.706667 | 0.779661 |
32 | PEV | 0.706667 | 0.779661 |
33 | 8PE | 0.706667 | 0.779661 |
34 | PTY | 0.706667 | 0.779661 |
35 | 3PE | 0.706667 | 0.779661 |
36 | PEF | 0.706667 | 0.779661 |
37 | 9PE | 0.697368 | 0.779661 |
38 | PEK | 0.682353 | 0.79661 |
39 | PEE | 0.675325 | 0.79661 |
40 | B7N | 0.670588 | 0.66129 |
41 | DLP | 0.659091 | 0.925926 |
42 | PCF | 0.65 | 0.907407 |
43 | PC1 | 0.65 | 0.907407 |
44 | MC3 | 0.65 | 0.907407 |
45 | CD4 | 0.649351 | 0.714286 |
46 | EPH | 0.634409 | 0.79661 |
47 | PGT | 0.632911 | 0.689655 |
48 | LHG | 0.632911 | 0.689655 |
49 | PIE | 0.625 | 0.645161 |
50 | P5S | 0.617284 | 0.733333 |
51 | LP3 | 0.607595 | 0.946429 |
52 | LAP | 0.607595 | 0.946429 |
53 | LPC | 0.607595 | 0.946429 |
54 | K6G | 0.607595 | 0.946429 |
55 | P3A | 0.606742 | 0.706897 |
56 | 8SP | 0.604938 | 0.733333 |
57 | F57 | 0.6 | 0.714286 |
58 | 7PH | 0.6 | 0.714286 |
59 | 3PH | 0.6 | 0.714286 |
60 | LPP | 0.6 | 0.714286 |
61 | 6PH | 0.6 | 0.714286 |
62 | PX8 | 0.592105 | 0.759259 |
63 | 7P9 | 0.592105 | 0.714286 |
64 | PX2 | 0.592105 | 0.759259 |
65 | CN3 | 0.588235 | 0.714286 |
66 | PA8 | 0.578947 | 0.759259 |
67 | OPC | 0.571429 | 0.981818 |
68 | PII | 0.564706 | 0.645161 |
69 | CN6 | 0.564706 | 0.714286 |
70 | PIZ | 0.561798 | 0.645161 |
71 | PGK | 0.555556 | 0.655738 |
72 | PD7 | 0.552632 | 0.714286 |
73 | T7X | 0.552083 | 0.66129 |
74 | PIF | 0.551724 | 0.634921 |
75 | IP9 | 0.550562 | 0.645161 |
76 | 44G | 0.54321 | 0.689655 |
77 | CDL | 0.542169 | 0.709091 |
78 | DGG | 0.537634 | 0.655738 |
79 | 3XU | 0.537634 | 0.825397 |
80 | M7U | 0.535714 | 0.714286 |
81 | 52N | 0.533333 | 0.634921 |
82 | PIO | 0.533333 | 0.634921 |
83 | PSF | 0.53012 | 0.733333 |
84 | 43Y | 0.525641 | 0.944444 |
85 | PG8 | 0.517647 | 0.689655 |
86 | S12 | 0.516854 | 0.733333 |
87 | NKP | 0.512195 | 0.701754 |
88 | PDK | 0.509804 | 0.765625 |
89 | 44E | 0.506494 | 0.714286 |
90 | PC5 | 0.5 | 0.810345 |
91 | SPU | 0.5 | 0.819672 |
92 | 8ND | 0.5 | 0.603448 |
93 | AGA | 0.488636 | 0.689655 |
94 | 3PC | 0.477273 | 0.888889 |
95 | LPX | 0.47619 | 0.762712 |
96 | PQJ | 0.421053 | 0.87037 |
97 | LPE | 0.418605 | 0.892857 |
98 | FO4 | 0.415842 | 0.825397 |
99 | CN5 | 0.406593 | 0.732143 |
100 | NKO | 0.402439 | 0.684211 |
101 | NKN | 0.402439 | 0.684211 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 1t27.bio1) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6LM1 | OCT | 3.861 |
2 | 6LM1 | D10 | 3.861 |