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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 197 families. | |||||
1 | 1XK5 | Kd = 1 uM | TPG | C23 H35 N10 O18 P3 | CN1CN(C2=C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 165 families. | |||||
1 | 1XK5 | Kd = 1 uM | TPG | C23 H35 N10 O18 P3 | CN1CN(C2=C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | TPG | 1 | 1 |
2 | GP3 | 0.645455 | 0.842697 |
3 | GTP | 0.608696 | 0.840909 |
4 | GSP | 0.598291 | 0.804348 |
5 | GDP | 0.582609 | 0.840909 |
6 | G3A | 0.579365 | 0.842697 |
7 | GNH | 0.577586 | 0.831461 |
8 | G1R | 0.576271 | 0.831461 |
9 | G5P | 0.574803 | 0.842697 |
10 | GTG | 0.571429 | 0.855556 |
11 | GCP | 0.563025 | 0.842697 |
12 | M7G A2M G | 0.5625 | 0.944444 |
13 | G2R | 0.560976 | 0.813187 |
14 | GNP | 0.558333 | 0.822222 |
15 | 9GM | 0.558333 | 0.822222 |
16 | GPG | 0.556452 | 0.833333 |
17 | GMV | 0.554622 | 0.822222 |
18 | MGT | 0.55 | 0.920455 |
19 | CAG | 0.539568 | 0.791667 |
20 | G | 0.53913 | 0.829545 |
21 | 5GP | 0.53913 | 0.829545 |
22 | Y9Z | 0.539062 | 0.808511 |
23 | GDC | 0.539062 | 0.833333 |
24 | GKE | 0.539062 | 0.833333 |
25 | GDD | 0.539062 | 0.833333 |
26 | GFB | 0.534884 | 0.853933 |
27 | GDR | 0.534884 | 0.853933 |
28 | GKD | 0.534351 | 0.833333 |
29 | 6CK | 0.530769 | 0.815217 |
30 | GPD | 0.530303 | 0.826087 |
31 | M7G | 0.525 | 0.920455 |
32 | GAV | 0.524194 | 0.813187 |
33 | JB2 | 0.522727 | 0.853933 |
34 | YGP | 0.51938 | 0.88764 |
35 | U2G | 0.518248 | 0.855556 |
36 | GP2 | 0.516667 | 0.833333 |
37 | CG2 | 0.510791 | 0.855556 |
38 | GTP MG | 0.508065 | 0.808989 |
39 | G2P | 0.508065 | 0.833333 |
40 | GDX | 0.507463 | 0.842697 |
41 | NGD | 0.507246 | 0.833333 |
42 | JB3 | 0.5 | 0.865169 |
43 | GDP BEF | 0.5 | 0.791209 |
44 | 0O2 | 0.496124 | 0.829545 |
45 | ALF 5GP | 0.491935 | 0.757895 |
46 | 2MD | 0.485915 | 0.879121 |
47 | GDP ALF | 0.48062 | 0.757895 |
48 | GDP AF3 | 0.48062 | 0.757895 |
49 | FE9 | 0.47619 | 0.792079 |
50 | MGD | 0.475862 | 0.879121 |
51 | FEG | 0.475177 | 0.808511 |
52 | PGD | 0.472973 | 0.846154 |
53 | ZGP | 0.471831 | 0.8 |
54 | G4P | 0.465116 | 0.829545 |
55 | MD1 | 0.463087 | 0.879121 |
56 | G3D | 0.460938 | 0.829545 |
57 | GDP 7MG | 0.459854 | 0.833333 |
58 | GH3 | 0.457364 | 0.820225 |
59 | DBG | 0.456954 | 0.824176 |
60 | I2C FE2 CMO CMO | 0.456376 | 0.822917 |
61 | GMP | 0.45614 | 0.741573 |
62 | KB7 | 0.452381 | 0.741935 |
63 | GPC | 0.445946 | 0.808511 |
64 | KBD | 0.440298 | 0.741935 |
65 | G1G | 0.44 | 0.866667 |
66 | G4M | 0.4375 | 0.829787 |
67 | G C | 0.435374 | 0.824176 |
68 | 3GP | 0.434426 | 0.797753 |
69 | DGT | 0.430769 | 0.782609 |
70 | GPX | 0.428571 | 0.797753 |
71 | 2GP | 0.422764 | 0.808989 |
72 | KBJ | 0.417266 | 0.71875 |
73 | GTA | 0.415493 | 0.855556 |
74 | 6G0 | 0.412214 | 0.853933 |
75 | QBQ | 0.407692 | 0.829545 |
76 | UP5 | 0.406897 | 0.8 |
77 | MGP | 0.40458 | 0.853933 |
78 | M7M | 0.401515 | 0.931818 |
79 | DGI | 0.4 | 0.782609 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 1xk5.bio1) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |