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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 1KQF | - | MGD | C20 H26 N10 O13 P2 S2 | c1nc2c(n1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 1KQF | - | MGD | C20 H26 N10 O13 P2 S2 | c1nc2c(n1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | MGD | 1 | 1 |
2 | PGD O | 0.706349 | 0.954023 |
3 | 2MD | 0.694215 | 1 |
4 | G1R | 0.636364 | 0.880952 |
5 | GP3 | 0.635514 | 0.892857 |
6 | GNH | 0.623853 | 0.880952 |
7 | GSP | 0.616071 | 0.894118 |
8 | GDP | 0.614679 | 0.891566 |
9 | GTP | 0.612613 | 0.891566 |
10 | PGD | 0.606061 | 0.963855 |
11 | GCP | 0.59292 | 0.870588 |
12 | G2R | 0.589744 | 0.860465 |
13 | 9GM | 0.587719 | 0.870588 |
14 | GNP | 0.587719 | 0.870588 |
15 | GMV | 0.584071 | 0.870588 |
16 | Y9Z | 0.578512 | 0.813187 |
17 | 5GP | 0.568807 | 0.879518 |
18 | G | 0.568807 | 0.879518 |
19 | GFB | 0.560976 | 0.882353 |
20 | GDR | 0.560976 | 0.882353 |
21 | G3A | 0.556452 | 0.892857 |
22 | GDD | 0.552846 | 0.882353 |
23 | GDC | 0.552846 | 0.882353 |
24 | GKE | 0.552846 | 0.882353 |
25 | G5P | 0.552 | 0.892857 |
26 | GAV | 0.550847 | 0.904762 |
27 | GTG | 0.548387 | 0.862069 |
28 | GKD | 0.547619 | 0.882353 |
29 | MD1 | 0.547445 | 0.97619 |
30 | 6CK | 0.544 | 0.862069 |
31 | GP2 | 0.54386 | 0.860465 |
32 | NGD | 0.541985 | 0.882353 |
33 | MTE | 0.541284 | 0.855422 |
34 | GDP BEF | 0.538462 | 0.837209 |
35 | JB2 | 0.535433 | 0.882353 |
36 | G2P | 0.533898 | 0.860465 |
37 | GPG | 0.532787 | 0.882353 |
38 | YGP | 0.532258 | 0.895349 |
39 | GPD | 0.53125 | 0.852273 |
40 | GDX | 0.53125 | 0.892857 |
41 | JB3 | 0.522727 | 0.872093 |
42 | GTP MG | 0.521008 | 0.857143 |
43 | FEG | 0.518797 | 0.813187 |
44 | ALF 5GP | 0.516949 | 0.8 |
45 | ZGP | 0.514925 | 0.844444 |
46 | CAG | 0.507246 | 0.815217 |
47 | GDP ALF | 0.504065 | 0.8 |
48 | GDP AF3 | 0.504065 | 0.8 |
49 | PTE | 0.503937 | 0.827586 |
50 | U2G | 0.496296 | 0.905882 |
51 | G3D | 0.495868 | 0.879518 |
52 | 0O2 | 0.484127 | 0.879518 |
53 | CG2 | 0.478261 | 0.905882 |
54 | TPG | 0.475862 | 0.879121 |
55 | G4P | 0.475806 | 0.879518 |
56 | GDP 7MG | 0.469697 | 0.83908 |
57 | GMP | 0.46789 | 0.785714 |
58 | DBG | 0.465753 | 0.872093 |
59 | KB7 | 0.46281 | 0.744444 |
60 | KBD | 0.460938 | 0.764045 |
61 | 3GP | 0.456897 | 0.845238 |
62 | FE9 | 0.455172 | 0.852632 |
63 | KBJ | 0.44697 | 0.73913 |
64 | G1R G1R | 0.445946 | 0.850575 |
65 | G1G | 0.438356 | 0.852273 |
66 | G4M | 0.435897 | 0.815217 |
67 | I2C FE2 CMO CMO | 0.435374 | 0.827957 |
68 | GH3 | 0.433071 | 0.869048 |
69 | R7I | 0.424 | 0.845238 |
70 | R5I | 0.424 | 0.845238 |
71 | DGT | 0.417323 | 0.827586 |
72 | GPX | 0.415385 | 0.845238 |
73 | 2GP | 0.408333 | 0.857143 |
74 | DGI | 0.408 | 0.827586 |
75 | QBQ | 0.404762 | 0.879518 |
76 | IDP | 0.403226 | 0.86747 |
77 | BGO | 0.402778 | 0.850575 |
78 | AKW | 0.402778 | 0.863636 |
79 | P2G | 0.401639 | 0.790698 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 1kqf.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1kqf.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1kqf.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1kqf.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 1kqf.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 1kqf.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |