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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ALA LEU | 1 | 1 |
2 | GLY LEU | 0.538462 | 0.823529 |
3 | ALA GLN | 0.536585 | 0.764706 |
4 | LEU LEU LEU | 0.533333 | 0.90625 |
5 | ALA LEU ALA LEU | 0.489796 | 0.90625 |
6 | ALA LYS | 0.488889 | 0.702703 |
7 | SER SER ARG THR ARG ARG GLU GLU GLN LEU | 0.481481 | 0.805556 |
8 | PHE LEU | 0.480769 | 0.878788 |
9 | ALA ALA | 0.459459 | 0.827586 |
10 | GLY THR LEU SER ASN ARG ALA SER LYS LEU | 0.453125 | 0.659091 |
11 | GLU ASP LEU | 0.45283 | 0.805556 |
12 | ALA PHE | 0.44898 | 0.8125 |
13 | ALA ARG | 0.44898 | 0.604651 |
14 | SER PRO SER ILE | 0.44898 | 0.7 |
15 | LEU GLU | 0.446809 | 0.878788 |
16 | LYS ASN LEU | 0.438596 | 0.674419 |
17 | LEU LYS | 0.403846 | 0.783784 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | NQM | 0.9587 |
2 | GLY ASP | 0.9420 |
3 | PRO LEU | 0.9292 |
4 | CDT | 0.9270 |
5 | 0GY | 0.9203 |
6 | HCA | 0.9176 |
7 | KFN | 0.9152 |
8 | FLC | 0.9150 |
9 | NLQ | 0.9112 |
10 | C4L | 0.9104 |
11 | CIT | 0.9100 |
12 | DG2 | 0.9098 |
13 | ALA GLU | 0.9095 |
14 | GLY MET | 0.9095 |
15 | ALA ZGL | 0.9086 |
16 | NLG | 0.9076 |
17 | 8VE | 0.9068 |
18 | G01 | 0.9064 |
19 | 1AL | 0.9053 |
20 | AOR | 0.9050 |
21 | SER THR | 0.9040 |
22 | 6XI | 0.9039 |
23 | 7QD | 0.9039 |
24 | 0FA | 0.9025 |
25 | ALA DGL | 0.9009 |
26 | TRA | 0.8998 |
27 | 4WK | 0.8983 |
28 | AN0 | 0.8974 |
29 | EKN | 0.8974 |
30 | AM1 | 0.8967 |
31 | PAL | 0.8962 |
32 | HCT | 0.8961 |
33 | HJ7 | 0.8956 |
34 | CCB | 0.8955 |
35 | 2C0 | 0.8954 |
36 | JAA | 0.8951 |
37 | AME | 0.8947 |
38 | NIG | 0.8945 |
39 | P4B | 0.8932 |
40 | CE2 | 0.8916 |
41 | NCD | 0.8914 |
42 | AQK | 0.8912 |
43 | 87L | 0.8902 |
44 | AIN | 0.8883 |
45 | GV9 | 0.8881 |
46 | TRC | 0.8875 |
47 | KDO | 0.8872 |
48 | 692 | 0.8870 |
49 | 8VN | 0.8865 |
50 | ICT | 0.8863 |
51 | F12 | 0.8851 |
52 | G88 | 0.8849 |
53 | AVO | 0.8829 |
54 | 3MF | 0.8822 |
55 | V6F | 0.8822 |
56 | 1FF | 0.8813 |
57 | 2BQ | 0.8809 |
58 | 1PL | 0.8796 |
59 | CIL | 0.8786 |
60 | P8D | 0.8774 |
61 | OTD | 0.8767 |
62 | U1K | 0.8767 |
63 | AVI | 0.8766 |
64 | NFQ | 0.8758 |
65 | 2D3 | 0.8751 |
66 | 7A2 | 0.8743 |
67 | ATH | 0.8735 |
68 | XQB | 0.8718 |
69 | XQK | 0.8714 |
70 | KAI | 0.8711 |
71 | S2T | 0.8707 |
72 | DY8 | 0.8699 |
73 | 512 | 0.8679 |
74 | 791 | 0.8674 |
75 | M5N | 0.8664 |
76 | BRR | 0.8661 |
77 | A9O | 0.8660 |
78 | NZ3 | 0.8660 |
79 | DXG | 0.8651 |
80 | XH2 | 0.8631 |
81 | PRZ | 0.8626 |
82 | AQQ | 0.8614 |
83 | OKM | 0.8610 |
84 | S7B | 0.8609 |
85 | 7A3 | 0.8596 |
86 | 7WR | 0.8593 |
87 | 256 | 0.8584 |
88 | VPR | 0.8552 |
This union binding pocket(no: 1) in the query (biounit: 3der.bio3) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3DGB | MUC | 38.5507 |
2 | 3DGB | MUC | 38.5507 |
This union binding pocket(no: 2) in the query (biounit: 3der.bio3) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3DGB | MUC | 38.5507 |
2 | 3DGB | MUC | 38.5507 |
This union binding pocket(no: 3) in the query (biounit: 3der.bio3) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 3der.bio3) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3DGB | MUC | 38.5507 |
2 | 3DGB | MUC | 38.5507 |