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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 | 4EXH | Ki = 712 nM | ACE VAL VAL STA ALA STA | n/a | n/a |
2 | 3SLZ | Ki = 102 nM | 3TL | C50 H64 N6 O10 | C[C@@H](C(.... |
3 | 3SM2 | Ki = 0.2 nM | 478 | C25 H35 N3 O6 S | CC(C)C[N@].... |
4 | 3SM1 | Ki = 1442 nM | IVA VAL VAL STA ALA STA | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 4EXH | Ki = 712 nM | ACE VAL VAL STA ALA STA | n/a | n/a |
2 | 3SLZ | Ki = 102 nM | 3TL | C50 H64 N6 O10 | C[C@@H](C(.... |
3 | 3SM2 | Ki = 0.2 nM | 478 | C25 H35 N3 O6 S | CC(C)C[N@].... |
4 | 3SM1 | Ki = 1442 nM | IVA VAL VAL STA ALA STA | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 478 | 1 | 1 |
2 | G55 | 0.737374 | 0.882353 |
3 | 017 | 0.679612 | 0.963855 |
4 | C7J | 0.663462 | 0.908046 |
5 | 4UX | 0.657143 | 0.918605 |
6 | G10 | 0.64486 | 0.908046 |
7 | C7L | 0.638889 | 0.941176 |
8 | G05 | 0.627451 | 0.894118 |
9 | GRL | 0.613208 | 0.915663 |
10 | G89 | 0.601852 | 0.904762 |
11 | K13 | 0.590909 | 0.929412 |
12 | G08 | 0.587156 | 0.928571 |
13 | HWY | 0.584071 | 0.815217 |
14 | A60 | 0.581818 | 0.905882 |
15 | J0S | 0.576577 | 0.83908 |
16 | DJR | 0.572727 | 0.905882 |
17 | 0JV | 0.570175 | 0.894118 |
18 | 52U | 0.568807 | 0.883721 |
19 | G04 | 0.568807 | 0.883721 |
20 | 8FM | 0.561404 | 0.862069 |
21 | NJA | 0.558559 | 0.927711 |
22 | 4UY | 0.558559 | 0.885057 |
23 | NJ4 | 0.558559 | 0.927711 |
24 | G07 | 0.558559 | 0.927711 |
25 | NJM | 0.558559 | 0.916667 |
26 | 5B7 | 0.557522 | 0.895349 |
27 | 52W | 0.557522 | 0.905882 |
28 | 5B5 | 0.556522 | 0.875 |
29 | B4R | 0.554545 | 0.863636 |
30 | BVR | 0.553571 | 0.895349 |
31 | Q1D | 0.547826 | 0.842697 |
32 | G52 | 0.547009 | 0.905882 |
33 | NG4 | 0.54386 | 0.916667 |
34 | NF7 | 0.54386 | 0.916667 |
35 | 53F | 0.53913 | 0.941176 |
36 | T1R | 0.538462 | 0.872093 |
37 | G79 | 0.516667 | 0.883721 |
38 | NFJ | 0.491525 | 0.870588 |
39 | NEJ | 0.491525 | 0.894118 |
40 | NE7 | 0.491525 | 0.894118 |
41 | K2A | 0.491525 | 0.883721 |
42 | NF4 | 0.491525 | 0.870588 |
43 | NJG | 0.487603 | 0.883721 |
44 | NJ7 | 0.487603 | 0.883721 |
45 | 065 | 0.487603 | 0.895349 |
46 | F53 | 0.483051 | 0.860465 |
47 | G53 | 0.48062 | 0.875 |
48 | NJJ | 0.479339 | 0.860465 |
49 | NJ1 | 0.479339 | 0.860465 |
50 | 52Z | 0.470085 | 0.905882 |
51 | M73 | 0.464286 | 0.833333 |
52 | 031 | 0.464 | 0.808989 |
53 | QFI | 0.46281 | 0.846154 |
54 | MUI | 0.46281 | 0.824176 |
55 | FQ4 | 0.453782 | 0.844444 |
56 | M86 | 0.453782 | 0.768421 |
57 | 7O7 | 0.452555 | 0.857143 |
58 | MZ9 | 0.445455 | 0.788235 |
59 | MUT | 0.444444 | 0.824176 |
60 | MK5 | 0.444444 | 0.786517 |
61 | GA5 | 0.44186 | 0.813953 |
62 | GA8 | 0.438462 | 0.806818 |
63 | P3V | 0.438017 | 0.941176 |
64 | D78 | 0.4375 | 0.797872 |
65 | 0TQ | 0.437037 | 0.829787 |
66 | FQ1 | 0.434426 | 0.844444 |
67 | G61 | 0.431034 | 0.821429 |
68 | G64 | 0.429688 | 0.76087 |
69 | KGQ | 0.429688 | 0.855556 |
70 | G43 | 0.428571 | 0.846154 |
71 | T2R | 0.42446 | 0.875 |
72 | 74T | 0.414966 | 0.849462 |