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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 31 families. | |||||
1 | 2IU8 | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 30 families. | |||||
1 | 2IU8 | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
2 | 6P85 | - | O4V | C17 H18 N4 O3 S | CCOc1ccccc.... |
3 | 6P87 | - | O4P | C23 H22 N2 O3 S | CN([C@@H](.... |
4 | 6P89 | - | O3V | C22 H19 N3 O2 S | CC1(Cc2c(c.... |
5 | 6P8A | - | O4D | C21 H28 N6 O2 | Cc1cc(nc2c.... |
6 | 6P88 | - | O3V | C22 H19 N3 O2 S | CC1(Cc2c(c.... |
7 | 6P84 | - | O3V | C22 H19 N3 O2 S | CC1(Cc2c(c.... |
8 | 6P83 | Kd = 0.08 uM | O3Y | C24 H20 Cl N3 O2 | CC1(Cc2c(c.... |
9 | 6P86 | - | O4S | C28 H34 N4 O3 | CCc1ccc(cc.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | MYR | 1 | 1 |
2 | KNA | 1 | 1 |
3 | X90 | 1 | 1 |
4 | 11A | 1 | 1 |
5 | F23 | 1 | 1 |
6 | DKA | 1 | 1 |
7 | DCR | 1 | 1 |
8 | PLM | 1 | 1 |
9 | TDA | 1 | 1 |
10 | EW8 | 1 | 1 |
11 | STE | 1 | 1 |
12 | DAO | 1 | 1 |
13 | F15 | 1 | 1 |
14 | OCA | 0.956522 | 1 |
15 | SHV | 0.833333 | 0.952381 |
16 | KTC | 0.793103 | 0.875 |
17 | AZ1 | 0.73913 | 0.64 |
18 | 6NA | 0.72 | 0.904762 |
19 | NER | 0.71875 | 0.954545 |
20 | OLA | 0.71875 | 0.954545 |
21 | ELA | 0.71875 | 0.954545 |
22 | PAM | 0.666667 | 0.954545 |
23 | VCA | 0.666667 | 0.954545 |
24 | PML | 0.625 | 0.6 |
25 | 3LA | 0.606061 | 0.8 |
26 | LEA | 0.6 | 0.809524 |
27 | MYZ | 0.588235 | 0.909091 |
28 | 12H | 0.586207 | 0.615385 |
29 | ODD | 0.567568 | 0.913043 |
30 | BRC | 0.566667 | 0.666667 |
31 | 14V | 0.555556 | 0.740741 |
32 | M12 | 0.545455 | 0.869565 |
33 | 14U | 0.542857 | 0.703704 |
34 | EOD | 0.538462 | 0.7 |
35 | EIC | 0.538462 | 0.913043 |
36 | BNV | 0.5 | 0.954545 |
37 | BMJ | 0.5 | 0.954545 |
38 | D0G | 0.5 | 0.954545 |
39 | BUA | 0.48 | 0.666667 |
40 | RCL | 0.468085 | 0.84 |
41 | HXD | 0.459459 | 0.807692 |
42 | 56S | 0.459459 | 0.653846 |
43 | FTT | 0.459459 | 0.807692 |
44 | ODT | 0.452381 | 0.782609 |
45 | 3X1 | 0.444444 | 0.818182 |
46 | LNL | 0.44186 | 0.826087 |
47 | OOA | 0.441176 | 0.76 |
48 | 9J6 | 0.441176 | 0.666667 |
49 | CUY | 0.435897 | 0.68 |
50 | CNS | 0.435897 | 0.68 |
51 | 6UL | 0.435897 | 0.68 |
52 | 5UF | 0.432432 | 0.807692 |
53 | 243 | 0.428571 | 0.807692 |
54 | GYM | 0.418605 | 0.606061 |
55 | 1QW | 0.418605 | 0.606061 |
56 | 1DO | 0.413793 | 0.75 |
57 | F09 | 0.413793 | 0.75 |
58 | DE1 | 0.413793 | 0.75 |
59 | O8N | 0.413793 | 0.75 |
60 | OC9 | 0.413793 | 0.75 |
61 | PL3 | 0.413793 | 0.75 |
62 | T25 | 0.403846 | 0.677419 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | UD2 | 1 | 1 |
2 | UD1 | 1 | 1 |
3 | UDZ | 0.8 | 0.893333 |
4 | HP7 | 0.793814 | 0.985294 |
5 | EPZ | 0.75 | 0.985507 |
6 | EPU | 0.742857 | 0.971429 |
7 | EEB | 0.742857 | 0.971429 |
8 | UD4 | 0.742574 | 0.957143 |
9 | F5P | 0.742574 | 0.957143 |
10 | F5G | 0.742574 | 0.971014 |
11 | GUD | 0.73913 | 0.985294 |
12 | UPG | 0.73913 | 0.985294 |
13 | GDU | 0.73913 | 0.985294 |
14 | UFM | 0.73913 | 0.985294 |
15 | UD7 | 0.722772 | 0.971014 |
16 | MJZ | 0.715686 | 0.957143 |
17 | U2F | 0.697917 | 0.930556 |
18 | UPF | 0.697917 | 0.930556 |
19 | UMA | 0.690265 | 0.985507 |
20 | UDM | 0.683168 | 0.957143 |
21 | UFG | 0.663265 | 0.930556 |
22 | HWU | 0.660377 | 0.943662 |
23 | 12V | 0.660377 | 0.943662 |
24 | U21 | 0.655462 | 0.871795 |
25 | U20 | 0.655462 | 0.871795 |
26 | U22 | 0.655462 | 0.85 |
27 | UGB | 0.65 | 0.970588 |
28 | UGA | 0.65 | 0.970588 |
29 | USQ | 0.633663 | 0.835443 |
30 | UAD | 0.63 | 0.956522 |
31 | UDX | 0.63 | 0.956522 |
32 | UDP | 0.622222 | 0.927536 |
33 | UTP | 0.619565 | 0.927536 |
34 | UAG | 0.617188 | 0.931507 |
35 | U5F | 0.612903 | 0.927536 |
36 | URM | 0.6 | 0.942857 |
37 | 660 | 0.6 | 0.942857 |
38 | G3N | 0.596154 | 0.929577 |
39 | UPU | 0.587629 | 0.955882 |
40 | 4RA | 0.584615 | 0.87013 |
41 | UNP | 0.583333 | 0.901408 |
42 | 3UC | 0.575472 | 0.930556 |
43 | UML | 0.564286 | 0.871795 |
44 | IUG | 0.561404 | 0.825 |
45 | U | 0.555556 | 0.913043 |
46 | U5P | 0.555556 | 0.913043 |
47 | UD0 | 0.552239 | 0.858974 |
48 | UDH | 0.543689 | 0.855263 |
49 | UPP | 0.543689 | 0.928571 |
50 | 2KH | 0.530612 | 0.901408 |
51 | 44P | 0.521277 | 0.888889 |
52 | C5G | 0.518519 | 0.930556 |
53 | UDP UDP | 0.505155 | 0.898551 |
54 | Y6W | 0.504673 | 0.90411 |
55 | 2QR | 0.485075 | 0.860759 |
56 | 2GW | 0.482759 | 0.943662 |
57 | URI | 0.477273 | 0.852941 |
58 | UP5 | 0.47541 | 0.844156 |
59 | PMP UD1 | 0.467626 | 0.848101 |
60 | 1GW | 0.467213 | 0.905405 |
61 | CJB | 0.461538 | 0.838235 |
62 | UAG API | 0.457516 | 0.87013 |
63 | 4TC | 0.456 | 0.822785 |
64 | CSQ | 0.452991 | 0.866667 |
65 | CSV | 0.452991 | 0.866667 |
66 | U3P | 0.447917 | 0.898551 |
67 | UA3 | 0.447917 | 0.898551 |
68 | U U | 0.446429 | 0.914286 |
69 | NG1 | 0.444444 | 0.753623 |
70 | GN1 | 0.444444 | 0.753623 |
71 | C30 | 0.433628 | 0.696203 |
72 | PUP | 0.429825 | 0.875 |
73 | LSU | 0.428571 | 0.732558 |
74 | CXY | 0.422414 | 0.90411 |
75 | A U | 0.418605 | 0.820513 |
76 | U2P | 0.418367 | 0.913043 |
77 | UMA FGA LYS DAL DAL | 0.414634 | 0.8375 |
78 | U1S | 0.409091 | 0.789474 |
79 | FN5 | 0.40458 | 0.883117 |
80 | DAU | 0.403361 | 0.905405 |
81 | YSU | 0.403361 | 0.741176 |
82 | G U | 0.401515 | 0.780488 |
This union binding pocket(no: 1) in the query (biounit: 2iu8.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2iu8.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2iu8.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2iu8.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |