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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 | 2HAH | Ki = 10 nM | 3TL | C50 H64 N6 O10 | C[C@@H](C(.... |
2 | 3OGQ | ic50 = 30 nM | AB1 | C37 H48 N4 O5 | Cc1cccc(c1.... |
3 | 3FIV | - | ACE ALN VAL LEU ALA GLU ALN NH2 | n/a | n/a |
4 | 6FIV | Ki = 8.3 nM | 3TL | C50 H64 N6 O10 | C[C@@H](C(.... |
5 | 4FIV | Ki = 300 nM | LP1 | C45 H58 N6 O7 | CC[C@@H](C.... |
6 | 5FIV | Ki = 22 nM | 3TL | C50 H64 N6 O10 | C[C@@H](C(.... |
7 | 2FIV | - | ACE ALN VAL STA GLU ALN NH2 | n/a | n/a |
8 | 1B11 | Ki = 41 nM | 3TL | C50 H64 N6 O10 | C[C@@H](C(.... |
9 | 1FIV | Ki = 260 nM | ACE ALN VAL STA GLU ALN NH2 | n/a | n/a |
10 | 3OGP | ic50 = 36 nM | 017 | C27 H37 N3 O7 S | CC(C)C[N@@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 21 families. | |||||
1 | 2HAH | Ki = 10 nM | 3TL | C50 H64 N6 O10 | C[C@@H](C(.... |
2 | 3OGQ | ic50 = 30 nM | AB1 | C37 H48 N4 O5 | Cc1cccc(c1.... |
3 | 3FIV | - | ACE ALN VAL LEU ALA GLU ALN NH2 | n/a | n/a |
4 | 6FIV | Ki = 8.3 nM | 3TL | C50 H64 N6 O10 | C[C@@H](C(.... |
5 | 4FIV | Ki = 300 nM | LP1 | C45 H58 N6 O7 | CC[C@@H](C.... |
6 | 5FIV | Ki = 22 nM | 3TL | C50 H64 N6 O10 | C[C@@H](C(.... |
7 | 2FIV | - | ACE ALN VAL STA GLU ALN NH2 | n/a | n/a |
8 | 1B11 | Ki = 41 nM | 3TL | C50 H64 N6 O10 | C[C@@H](C(.... |
9 | 1FIV | Ki = 260 nM | ACE ALN VAL STA GLU ALN NH2 | n/a | n/a |
10 | 3OGP | ic50 = 36 nM | 017 | C27 H37 N3 O7 S | CC(C)C[N@@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 017 | 1 | 1 |
2 | K13 | 0.877551 | 0.964706 |
3 | G08 | 0.876289 | 0.964286 |
4 | A60 | 0.867347 | 0.941176 |
5 | DJR | 0.857143 | 0.941176 |
6 | NJ4 | 0.838384 | 0.963855 |
7 | NJM | 0.838384 | 0.952381 |
8 | NJA | 0.838384 | 0.963855 |
9 | G07 | 0.838384 | 0.963855 |
10 | BVR | 0.83 | 0.930233 |
11 | NG4 | 0.813725 | 0.952381 |
12 | NF7 | 0.813725 | 0.952381 |
13 | NFJ | 0.745283 | 0.905882 |
14 | K2A | 0.745283 | 0.918605 |
15 | NE7 | 0.745283 | 0.929412 |
16 | NEJ | 0.745283 | 0.929412 |
17 | NF4 | 0.745283 | 0.905882 |
18 | F53 | 0.735849 | 0.895349 |
19 | NJG | 0.733945 | 0.918605 |
20 | 065 | 0.733945 | 0.930233 |
21 | NJ7 | 0.733945 | 0.918605 |
22 | NJ1 | 0.724771 | 0.895349 |
23 | NJJ | 0.724771 | 0.895349 |
24 | 52U | 0.714286 | 0.896552 |
25 | G53 | 0.709402 | 0.909091 |
26 | QFI | 0.706422 | 0.879121 |
27 | B4R | 0.698113 | 0.876405 |
28 | C7J | 0.685185 | 0.942529 |
29 | 478 | 0.679612 | 0.963855 |
30 | 4UX | 0.678899 | 0.953488 |
31 | G10 | 0.666667 | 0.942529 |
32 | P3V | 0.663636 | 0.976471 |
33 | C7L | 0.660714 | 0.976471 |
34 | G43 | 0.657895 | 0.879121 |
35 | KGQ | 0.655172 | 0.888889 |
36 | 0TQ | 0.650406 | 0.861702 |
37 | G52 | 0.623932 | 0.941176 |
38 | 5B7 | 0.608696 | 0.908046 |
39 | 6KK | 0.608696 | 0.918605 |
40 | 74T | 0.595588 | 0.88172 |
41 | 52W | 0.594828 | 0.918605 |
42 | G04 | 0.59292 | 0.918605 |
43 | G79 | 0.591667 | 0.918605 |
44 | FQ4 | 0.582609 | 0.857143 |
45 | 4UY | 0.582609 | 0.91954 |
46 | 5B5 | 0.579832 | 0.88764 |
47 | 53F | 0.576271 | 0.953488 |
48 | G05 | 0.5625 | 0.906977 |
49 | FQ1 | 0.559322 | 0.857143 |
50 | 8FM | 0.558333 | 0.896552 |
51 | 6KQ | 0.552846 | 0.873563 |
52 | T1R | 0.54918 | 0.906977 |
53 | Q1D | 0.545455 | 0.876405 |
54 | 385 | 0.544776 | 0.888889 |
55 | G89 | 0.542373 | 0.917647 |
56 | GRL | 0.538462 | 0.928571 |
57 | G55 | 0.533898 | 0.873563 |
58 | OQD | 0.528926 | 0.629214 |
59 | OQA | 0.528926 | 0.629214 |
60 | ORV | 0.525862 | 0.625 |
61 | OQG | 0.521008 | 0.636364 |
62 | 6KR | 0.520325 | 0.897727 |
63 | OQV | 0.516949 | 0.640449 |
64 | 0JV | 0.516129 | 0.906977 |
65 | OQY | 0.508475 | 0.640449 |
66 | 52Z | 0.508333 | 0.918605 |
67 | OQ7 | 0.504065 | 0.606742 |
68 | HWY | 0.504 | 0.847826 |
69 | OP7 | 0.5 | 0.606742 |
70 | J0S | 0.495935 | 0.873563 |
71 | OO4 | 0.495868 | 0.606742 |
72 | OR1 | 0.491935 | 0.617977 |
73 | OPJ | 0.491935 | 0.622222 |
74 | OQP | 0.491935 | 0.622222 |
75 | 7O7 | 0.464789 | 0.89011 |
76 | GR6 | 0.45 | 0.806452 |
77 | T2R | 0.447552 | 0.909091 |
78 | GR7 | 0.443662 | 0.815217 |
79 | GR8 | 0.432432 | 0.851064 |
80 | GR5 | 0.432432 | 0.851064 |
81 | MUI | 0.430769 | 0.817204 |
82 | M73 | 0.429752 | 0.804598 |
83 | MZ9 | 0.423729 | 0.761364 |
84 | GA5 | 0.423358 | 0.806818 |
85 | M86 | 0.421875 | 0.762887 |
86 | MUT | 0.414815 | 0.817204 |
87 | MK5 | 0.412698 | 0.76087 |
88 | 031 | 0.411765 | 0.842697 |
89 | GA8 | 0.410072 | 0.8 |
90 | D78 | 0.408759 | 0.791667 |
91 | G64 | 0.40146 | 0.755319 |
92 | G61 | 0.4 | 0.793103 |
This union binding pocket(no: 2) in the query (biounit: 6fiv.bio1) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |