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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1TMO | - | 2MD | C20 H28 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 225 families. | |||||
1 | 3DMR | - | PGD | C20 H24 N10 O13 P2 S2 | c1nc2c(n1[.... |
2 | 4DMR | - | PGD | C20 H24 N10 O13 P2 S2 | c1nc2c(n1[.... |
3 | 1DMS | - | PGD | C20 H24 N10 O13 P2 S2 | c1nc2c(n1[.... |
4 | 1E5V | - | PGD | C20 H24 N10 O13 P2 S2 | c1nc2c(n1[.... |
5 | 1E18 | - | PGD | C20 H24 N10 O13 P2 S2 | c1nc2c(n1[.... |
6 | 1H5N | - | PGD | C20 H24 N10 O13 P2 S2 | c1nc2c(n1[.... |
7 | 1E61 | - | PGD | C20 H24 N10 O13 P2 S2 | c1nc2c(n1[.... |
8 | 1DMR | - | PGD | C20 H24 N10 O13 P2 S2 | c1nc2c(n1[.... |
9 | 1E60 | - | PGD | C20 H24 N10 O13 P2 S2 | c1nc2c(n1[.... |
10 | 1TMO | - | 2MD | C20 H28 N10 O13 P2 S2 | c1nc2c(n1[.... |
11 | 1EU1 | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 2MD | 1 | 1 |
2 | MGD | 0.694215 | 1 |
3 | G1R | 0.654206 | 0.880952 |
4 | GP3 | 0.653846 | 0.892857 |
5 | GSP | 0.633027 | 0.894118 |
6 | GDP | 0.632075 | 0.891566 |
7 | GTP | 0.62963 | 0.891566 |
8 | GNH | 0.626168 | 0.880952 |
9 | GCP | 0.609091 | 0.870588 |
10 | G2R | 0.605263 | 0.860465 |
11 | GNP | 0.603604 | 0.870588 |
12 | 9GM | 0.603604 | 0.870588 |
13 | Y9Z | 0.59322 | 0.813187 |
14 | GMV | 0.585586 | 0.870588 |
15 | 5GP | 0.584906 | 0.879518 |
16 | G | 0.584906 | 0.879518 |
17 | GFB | 0.575 | 0.882353 |
18 | GDR | 0.575 | 0.882353 |
19 | MD1 | 0.571429 | 0.97619 |
20 | PGD O | 0.57037 | 0.954023 |
21 | G3A | 0.570248 | 0.892857 |
22 | GKE | 0.566667 | 0.882353 |
23 | GDC | 0.566667 | 0.882353 |
24 | GDD | 0.566667 | 0.882353 |
25 | G5P | 0.565574 | 0.892857 |
26 | GAV | 0.565217 | 0.904762 |
27 | GTG | 0.561983 | 0.862069 |
28 | GPG | 0.559322 | 0.882353 |
29 | GP2 | 0.558559 | 0.860465 |
30 | 6CK | 0.557377 | 0.862069 |
31 | GDP BEF | 0.552632 | 0.837209 |
32 | JB2 | 0.548387 | 0.882353 |
33 | GKD | 0.548387 | 0.882353 |
34 | G2P | 0.547826 | 0.860465 |
35 | JB3 | 0.546875 | 0.872093 |
36 | GPD | 0.544 | 0.852273 |
37 | GDX | 0.544 | 0.892857 |
38 | NGD | 0.542636 | 0.882353 |
39 | PGD | 0.536765 | 0.963855 |
40 | GTP MG | 0.534483 | 0.857143 |
41 | YGP | 0.532787 | 0.895349 |
42 | ALF 5GP | 0.530435 | 0.8 |
43 | GDP AF3 | 0.529412 | 0.8 |
44 | GDP ALF | 0.516667 | 0.8 |
45 | ZGP | 0.515152 | 0.844444 |
46 | G3D | 0.508475 | 0.879518 |
47 | U2G | 0.507576 | 0.905882 |
48 | CAG | 0.507353 | 0.815217 |
49 | FEG | 0.496241 | 0.813187 |
50 | 0O2 | 0.495935 | 0.879518 |
51 | G4P | 0.487603 | 0.879518 |
52 | TPG | 0.485915 | 0.879121 |
53 | GMP | 0.481132 | 0.785714 |
54 | GDP 7MG | 0.48062 | 0.83908 |
55 | CG2 | 0.477941 | 0.905882 |
56 | DBG | 0.475524 | 0.872093 |
57 | KB7 | 0.474576 | 0.744444 |
58 | G4M | 0.473333 | 0.815217 |
59 | 3GP | 0.469027 | 0.845238 |
60 | G1R G1R | 0.465278 | 0.850575 |
61 | FE9 | 0.464789 | 0.852632 |
62 | KBD | 0.460317 | 0.764045 |
63 | KBJ | 0.446154 | 0.73913 |
64 | I2C FE2 CMO CMO | 0.444444 | 0.827957 |
65 | GH3 | 0.443548 | 0.869048 |
66 | GPX | 0.436508 | 0.845238 |
67 | R7I | 0.434426 | 0.845238 |
68 | R5I | 0.434426 | 0.845238 |
69 | 2GP | 0.431034 | 0.857143 |
70 | G1G | 0.427586 | 0.852273 |
71 | DGT | 0.427419 | 0.827586 |
72 | DGI | 0.418033 | 0.827586 |
73 | QBQ | 0.414634 | 0.879518 |
74 | IDP | 0.413223 | 0.86747 |
75 | P2G | 0.411765 | 0.790698 |
76 | AKW | 0.411348 | 0.863636 |
77 | BGO | 0.411348 | 0.850575 |
78 | G C | 0.402778 | 0.872093 |
79 | GGM | 0.402778 | 0.831461 |
80 | G2Q | 0.4 | 0.860465 |
81 | MGP | 0.4 | 0.860465 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 1tmo.bio1) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1tmo.bio1) has 38 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |