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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 21 families. | |||||
1 | 4M8X | Ki = 0.063 nM | KGQ | C33 H49 N2 O12 P S | CCOP(=O)(C.... |
2 | 2RKG | Ki = 8.2 nM | AB1 | C37 H48 N4 O5 | Cc1cccc(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 21 families. | |||||
1 | 4M8X | Ki = 0.063 nM | KGQ | C33 H49 N2 O12 P S | CCOP(=O)(C.... |
2 | 2RKG | Ki = 8.2 nM | AB1 | C37 H48 N4 O5 | Cc1cccc(c1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | KGQ | 1 | 1 |
2 | QFI | 0.866667 | 0.966292 |
3 | DJR | 0.761468 | 0.942529 |
4 | G43 | 0.715517 | 0.88172 |
5 | FQ4 | 0.669565 | 0.860215 |
6 | 017 | 0.655172 | 0.888889 |
7 | NJM | 0.655172 | 0.909091 |
8 | 52U | 0.652174 | 0.898876 |
9 | G07 | 0.641026 | 0.91954 |
10 | G08 | 0.641026 | 0.898876 |
11 | NJA | 0.641026 | 0.91954 |
12 | NJ4 | 0.641026 | 0.91954 |
13 | 6KK | 0.638655 | 0.920455 |
14 | BVR | 0.635593 | 0.888889 |
15 | NG4 | 0.625 | 0.909091 |
16 | NF7 | 0.625 | 0.909091 |
17 | FQ1 | 0.616667 | 0.860215 |
18 | 385 | 0.595588 | 0.891304 |
19 | 52Z | 0.591667 | 0.920455 |
20 | G52 | 0.587302 | 0.942529 |
21 | 065 | 0.579365 | 0.931818 |
22 | K13 | 0.577236 | 0.879121 |
23 | K2A | 0.572581 | 0.898876 |
24 | A60 | 0.569106 | 0.857143 |
25 | G53 | 0.567164 | 0.89011 |
26 | F53 | 0.564516 | 0.876405 |
27 | 6KR | 0.563492 | 0.9 |
28 | NF4 | 0.56 | 0.886364 |
29 | NEJ | 0.56 | 0.909091 |
30 | NFJ | 0.56 | 0.886364 |
31 | NE7 | 0.56 | 0.909091 |
32 | G04 | 0.557377 | 0.920455 |
33 | NJ7 | 0.554688 | 0.898876 |
34 | NJG | 0.554688 | 0.898876 |
35 | 4UY | 0.548387 | 0.9 |
36 | 5B7 | 0.547619 | 0.910112 |
37 | NJJ | 0.546875 | 0.876405 |
38 | NJ1 | 0.546875 | 0.876405 |
39 | B4R | 0.544715 | 0.83871 |
40 | 53F | 0.543307 | 0.89011 |
41 | 52W | 0.535433 | 0.920455 |
42 | G79 | 0.534351 | 0.920455 |
43 | 0TQ | 0.532374 | 0.826531 |
44 | 5B5 | 0.523077 | 0.89011 |
45 | 6KQ | 0.522727 | 0.897727 |
46 | G05 | 0.504065 | 0.909091 |
47 | 8FM | 0.503817 | 0.898876 |
48 | T1R | 0.496241 | 0.909091 |
49 | G89 | 0.488372 | 0.91954 |
50 | G55 | 0.48062 | 0.897727 |
51 | 74T | 0.474026 | 0.808081 |
52 | C7L | 0.473684 | 0.89011 |
53 | 4UX | 0.473282 | 0.869565 |
54 | 0JV | 0.466667 | 0.88764 |
55 | C7J | 0.465649 | 0.840426 |
56 | J0S | 0.458647 | 0.876405 |
57 | HWY | 0.445255 | 0.831579 |
58 | P3V | 0.440298 | 0.89011 |
59 | G10 | 0.433824 | 0.840426 |
60 | 478 | 0.429688 | 0.855556 |
61 | GRL | 0.428571 | 0.886364 |
62 | Q1D | 0.427536 | 0.83871 |
63 | G61 | 0.423077 | 0.797753 |
64 | OQV | 0.410448 | 0.630435 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4m8x.bio1) has 38 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4m8x.bio1) has 38 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |