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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 | 1JLD | ic50 = 185 nM | 0PP | C37 H51 N5 O6 | CCC(CC)NC(.... |
2 | 3EBZ | - | 017 | C27 H37 N3 O7 S | CC(C)C[N@@.... |
3 | 3ECG | - | 065 | C28 H36 N2 O9 S | CC(C)C[N@@.... |
4 | 5UPJ | Ki = 75 nM | UIN | C20 H24 O3 | CC[C@@H](c.... |
5 | 6UPJ | Ki = 480 nM | NIU | C19 H22 O3 | CC[C@@H](c.... |
6 | 4UPJ | Ki = 0.16 uM | U04 | C25 H28 N2 O6 | CC[C@@H](c.... |
7 | 1HSH | Ki = 2.45 nM | MK1 | C36 H47 N5 O4 | CC(C)(C)NC.... |
8 | 3S45 | Ki = 3.24 nM | 478 | C25 H35 N3 O6 S | CC(C)C[N@].... |
9 | 3UPJ | Ki = 0.56 uM | U03 | C19 H18 O4 | CCC(c1cccc.... |
10 | 2MIP | ic50 < 3.5 nM | PHE VAL PHE LEU GLU ILE NH2 | n/a | n/a |
11 | 1IVP | Ki = 30 nM | 1ZK | C45 H62 N7 O7 | CC[C@H](C).... |
12 | 3EC0 | - | GRL | C29 H40 N2 O7 S | CC(C)CN(C[.... |
13 | 1IDB | ic50 = 11 nM | 0DO | C35 H46 N4 O6 S | Cc1cccc(c1.... |
14 | 1IDA | ic50 < 2 nM | 0PO | C41 H52 N6 O4 S | CC(C)[C@@H.... |
15 | 1HII | Ki = 53 nM | C20 | C31 H51 N5 O5 | CC(C)[C@@H.... |
16 | 1TCW | Ki = 960 nM | IM1 | C31 H42 N4 O4 | CC(C)[C@@H.... |
17 | 1YTI | - | PHE LEU GLU LYS | n/a | n/a |
18 | 1SIV | Ki = 8.4 nM | PSI | C29 H47 N5 O7 | C[C@@H](C(.... |
19 | 1YTJ | - | PPN GLU ALA NLE SER | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 21 families. | |||||
1 | 1JLD | ic50 = 185 nM | 0PP | C37 H51 N5 O6 | CCC(CC)NC(.... |
2 | 3EBZ | - | 017 | C27 H37 N3 O7 S | CC(C)C[N@@.... |
3 | 3ECG | - | 065 | C28 H36 N2 O9 S | CC(C)C[N@@.... |
4 | 5UPJ | Ki = 75 nM | UIN | C20 H24 O3 | CC[C@@H](c.... |
5 | 6UPJ | Ki = 480 nM | NIU | C19 H22 O3 | CC[C@@H](c.... |
6 | 4UPJ | Ki = 0.16 uM | U04 | C25 H28 N2 O6 | CC[C@@H](c.... |
7 | 1HSH | Ki = 2.45 nM | MK1 | C36 H47 N5 O4 | CC(C)(C)NC.... |
8 | 3S45 | Ki = 3.24 nM | 478 | C25 H35 N3 O6 S | CC(C)C[N@].... |
9 | 3UPJ | Ki = 0.56 uM | U03 | C19 H18 O4 | CCC(c1cccc.... |
10 | 2MIP | ic50 < 3.5 nM | PHE VAL PHE LEU GLU ILE NH2 | n/a | n/a |
11 | 1IVP | Ki = 30 nM | 1ZK | C45 H62 N7 O7 | CC[C@H](C).... |
12 | 3EC0 | - | GRL | C29 H40 N2 O7 S | CC(C)CN(C[.... |
13 | 1IDB | ic50 = 11 nM | 0DO | C35 H46 N4 O6 S | Cc1cccc(c1.... |
14 | 1IDA | ic50 < 2 nM | 0PO | C41 H52 N6 O4 S | CC(C)[C@@H.... |
15 | 1HII | Ki = 53 nM | C20 | C31 H51 N5 O5 | CC(C)[C@@H.... |
16 | 1TCW | Ki = 960 nM | IM1 | C31 H42 N4 O4 | CC(C)[C@@H.... |
17 | 1YTI | - | PHE LEU GLU LYS | n/a | n/a |
18 | 1SIV | Ki = 8.4 nM | PSI | C29 H47 N5 O7 | C[C@@H](C(.... |
19 | 1YTJ | - | PPN GLU ALA NLE SER | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GRL | 1 | 1 |
2 | G05 | 0.679612 | 0.904762 |
3 | NJM | 0.651376 | 0.975309 |
4 | 031 | 0.623932 | 0.860465 |
5 | G89 | 0.621622 | 0.939024 |
6 | 478 | 0.613208 | 0.915663 |
7 | 0JV | 0.603448 | 0.927711 |
8 | HWY | 0.603448 | 0.824176 |
9 | G55 | 0.598214 | 0.870588 |
10 | J0S | 0.596491 | 0.892857 |
11 | F53 | 0.568965 | 0.915663 |
12 | K2A | 0.564103 | 0.939759 |
13 | 5B5 | 0.563025 | 0.906977 |
14 | 52U | 0.561404 | 0.916667 |
15 | DJR | 0.551724 | 0.939759 |
16 | 5B7 | 0.550847 | 0.905882 |
17 | 52W | 0.550847 | 0.916667 |
18 | G04 | 0.547826 | 0.916667 |
19 | B4R | 0.547826 | 0.895349 |
20 | BVR | 0.547009 | 0.928571 |
21 | 8FM | 0.541667 | 0.916667 |
22 | NJA | 0.538462 | 0.962963 |
23 | 4UY | 0.538462 | 0.895349 |
24 | 017 | 0.538462 | 0.928571 |
25 | G08 | 0.538462 | 0.939759 |
26 | G07 | 0.538462 | 0.962963 |
27 | NJ4 | 0.538462 | 0.962963 |
28 | NF7 | 0.537815 | 0.975309 |
29 | NG4 | 0.537815 | 0.975309 |
30 | G79 | 0.536585 | 0.939759 |
31 | T1R | 0.532787 | 0.904762 |
32 | Q1D | 0.528926 | 0.895349 |
33 | 4UX | 0.521008 | 0.885057 |
34 | G52 | 0.516129 | 0.939759 |
35 | C7J | 0.512605 | 0.875 |
36 | C7L | 0.508197 | 0.906977 |
37 | G10 | 0.5 | 0.875 |
38 | G53 | 0.488722 | 0.906977 |
39 | 52Z | 0.479339 | 0.916667 |
40 | NJJ | 0.47619 | 0.915663 |
41 | NJ1 | 0.47619 | 0.915663 |
42 | NFJ | 0.475806 | 0.903614 |
43 | NF4 | 0.475806 | 0.903614 |
44 | NJG | 0.472441 | 0.939759 |
45 | 065 | 0.472441 | 0.928571 |
46 | NJ7 | 0.472441 | 0.939759 |
47 | A60 | 0.471545 | 0.872093 |
48 | K13 | 0.467742 | 0.895349 |
49 | NE7 | 0.464 | 0.927711 |
50 | NEJ | 0.464 | 0.927711 |
51 | FQ4 | 0.463415 | 0.875 |
52 | QFI | 0.460317 | 0.876405 |
53 | 53F | 0.460317 | 0.885057 |
54 | 8HD | 0.453846 | 0.813953 |
55 | MUI | 0.448819 | 0.774194 |
56 | M73 | 0.436975 | 0.843373 |
57 | FQ1 | 0.433071 | 0.875 |
58 | MUT | 0.431818 | 0.774194 |
59 | MZ9 | 0.431034 | 0.797619 |
60 | 7O7 | 0.430556 | 0.866667 |
61 | KGQ | 0.428571 | 0.886364 |
62 | G43 | 0.427481 | 0.876405 |
63 | 0TQ | 0.425532 | 0.83871 |
64 | T2R | 0.423611 | 0.863636 |
65 | MK5 | 0.419355 | 0.816092 |
66 | GA5 | 0.419118 | 0.823529 |
67 | M86 | 0.417323 | 0.795699 |
68 | GA8 | 0.416058 | 0.816092 |
69 | D78 | 0.414815 | 0.75 |
70 | G61 | 0.406504 | 0.831325 |
71 | 74T | 0.405229 | 0.83871 |
This union binding pocket(no: 1) in the query (biounit: 1ida.bio1) has 36 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3WSJ | MK1 | 30.303 |
2 | 3WSJ | MK1 | 30.303 |