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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 426 families. | |||||
1 | 4INQ | - | PIF | C25 H48 O16 P2 | CCCCCCCC(=.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 322 families. | |||||
1 | 4INQ | - | PIF | C25 H48 O16 P2 | CCCCCCCC(=.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PIF | 1 | 1 |
2 | PIO | 0.873239 | 1 |
3 | 52N | 0.873239 | 1 |
4 | PII | 0.855072 | 0.979592 |
5 | IP9 | 0.821918 | 0.979592 |
6 | PIZ | 0.810811 | 0.979592 |
7 | B7N | 0.75641 | 0.96 |
8 | DB4 | 0.728571 | 0.938776 |
9 | T7X | 0.674419 | 0.96 |
10 | PBU | 0.644737 | 0.938776 |
11 | F57 | 0.642857 | 0.857143 |
12 | 6PH | 0.642857 | 0.857143 |
13 | 3PH | 0.642857 | 0.857143 |
14 | 7PH | 0.642857 | 0.857143 |
15 | LPP | 0.642857 | 0.857143 |
16 | I35 | 0.635135 | 0.918367 |
17 | 7P9 | 0.633803 | 0.857143 |
18 | CD4 | 0.626667 | 0.82 |
19 | 5P5 | 0.623377 | 0.938776 |
20 | 8SP | 0.623377 | 0.736842 |
21 | PIB | 0.623377 | 0.938776 |
22 | PA8 | 0.619718 | 0.8 |
23 | PTY | 0.618421 | 0.694915 |
24 | PEH | 0.618421 | 0.694915 |
25 | PEF | 0.618421 | 0.694915 |
26 | 3PE | 0.618421 | 0.694915 |
27 | PEV | 0.618421 | 0.694915 |
28 | 8PE | 0.618421 | 0.694915 |
29 | PC7 | 0.615385 | 0.645161 |
30 | LIO | 0.615385 | 0.645161 |
31 | HGP | 0.615385 | 0.645161 |
32 | PX4 | 0.615385 | 0.645161 |
33 | PLD | 0.615385 | 0.645161 |
34 | P5S | 0.615385 | 0.736842 |
35 | HGX | 0.615385 | 0.645161 |
36 | 6PL | 0.615385 | 0.645161 |
37 | PD7 | 0.614286 | 0.857143 |
38 | PX8 | 0.611111 | 0.8 |
39 | PX2 | 0.611111 | 0.8 |
40 | 9PE | 0.61039 | 0.694915 |
41 | PEE | 0.61039 | 0.683333 |
42 | LHG | 0.61039 | 0.823529 |
43 | PGT | 0.61039 | 0.823529 |
44 | XP5 | 0.589744 | 0.645161 |
45 | D21 | 0.56962 | 0.84 |
46 | M7U | 0.56962 | 0.857143 |
47 | PIE | 0.568182 | 0.901961 |
48 | CN3 | 0.566265 | 0.82 |
49 | 44E | 0.56338 | 0.857143 |
50 | 6OU | 0.552941 | 0.683333 |
51 | L9Q | 0.552941 | 0.683333 |
52 | LOP | 0.552941 | 0.683333 |
53 | PCW | 0.551724 | 0.634921 |
54 | RXY | 0.546512 | 0.683333 |
55 | D3D | 0.546512 | 0.807692 |
56 | PGW | 0.546512 | 0.807692 |
57 | P50 | 0.545455 | 0.706897 |
58 | HXG | 0.544304 | 0.645161 |
59 | PSF | 0.544304 | 0.736842 |
60 | CN6 | 0.542169 | 0.82 |
61 | PGV | 0.54023 | 0.807692 |
62 | DR9 | 0.54023 | 0.807692 |
63 | PCK | 0.539326 | 0.615385 |
64 | 44G | 0.538462 | 0.823529 |
65 | CDL | 0.5375 | 0.745098 |
66 | P6L | 0.534091 | 0.807692 |
67 | PGK | 0.534091 | 0.777778 |
68 | DGG | 0.533333 | 0.846154 |
69 | PG8 | 0.530864 | 0.788462 |
70 | OZ2 | 0.52809 | 0.807692 |
71 | ZPE | 0.522727 | 0.683333 |
72 | PC1 | 0.511905 | 0.606557 |
73 | PCF | 0.511905 | 0.606557 |
74 | MC3 | 0.511905 | 0.606557 |
75 | PSC | 0.510638 | 0.634921 |
76 | GP7 | 0.505376 | 0.683333 |
77 | PDK | 0.50505 | 0.61194 |
78 | PEK | 0.5 | 0.683333 |
79 | AGA | 0.5 | 0.788462 |
80 | 3PI | 0.482353 | 0.9 |
81 | L2C | 0.479452 | 0.6 |
82 | DDR | 0.479452 | 0.6 |
83 | DGA | 0.479452 | 0.6 |
84 | 1EM | 0.479452 | 0.6 |
85 | FAW | 0.479452 | 0.6 |
86 | DGD | 0.46875 | 0.709091 |
87 | 1O2 | 0.458333 | 0.690909 |
88 | 3TF | 0.453608 | 0.690909 |
89 | P3A | 0.452632 | 0.773585 |
90 | SQD | 0.451613 | 0.71875 |
91 | 4PT | 0.444444 | 0.882353 |
92 | NKO | 0.428571 | 0.82 |
93 | NKN | 0.428571 | 0.82 |
94 | EPH | 0.427184 | 0.683333 |
95 | 1L2 | 0.423077 | 0.690909 |
96 | LPC | 0.418605 | 0.650794 |
97 | LAP | 0.418605 | 0.650794 |
98 | K6G | 0.418605 | 0.650794 |
99 | LP3 | 0.418605 | 0.650794 |
100 | LPX | 0.416667 | 0.677966 |
101 | FQT | 0.409091 | 0.604938 |
102 | GGD | 0.40367 | 0.696429 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4inq.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |