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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 26 families. | |||||
1 | 6VCQ | ic50 = 1578 uM | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
2 | 4S2X | - | APC G U | n/a | n/a |
3 | 4S2Y | - | APC G U | n/a | n/a |
4 | 6VCR | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
5 | 6VCO | - | APC | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
6 | 6VCN | - | G2P | C11 H18 N5 O13 P3 | c1nc2c(n1[.... |
7 | 6VCP | - | UTP | C9 H15 N2 O15 P3 | C1=CN(C(=O.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 23 families. | |||||
1 | 6VCQ | ic50 = 1578 uM | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
2 | 4S2X | - | APC G U | n/a | n/a |
3 | 4S2Y | - | APC G U | n/a | n/a |
4 | 6VCR | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
5 | 6VCO | - | APC | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
6 | 6VCN | - | G2P | C11 H18 N5 O13 P3 | c1nc2c(n1[.... |
7 | 6VCP | - | UTP | C9 H15 N2 O15 P3 | C1=CN(C(=O.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | APC G U | 1 | 1 |
2 | G3A | 0.58871 | 0.911392 |
3 | G5P | 0.584 | 0.911392 |
4 | ATP A | 0.552 | 0.87013 |
5 | ATP A A A | 0.552 | 0.87013 |
6 | APC MG | 0.534483 | 0.883117 |
7 | G3D | 0.528926 | 0.897436 |
8 | M7G A2M G | 0.521472 | 0.840909 |
9 | G4P | 0.520325 | 0.897436 |
10 | 0O2 | 0.503937 | 0.897436 |
11 | G C | 0.503597 | 0.888889 |
12 | 3GP | 0.491379 | 0.909091 |
13 | GTP MG | 0.48 | 0.922078 |
14 | ALF 5GP | 0.475806 | 0.855422 |
15 | GDP BEF | 0.472 | 0.898734 |
16 | PAP | 0.471074 | 0.846154 |
17 | A3P | 0.470085 | 0.857143 |
18 | GDP AF3 | 0.465116 | 0.855422 |
19 | 1YD | 0.462687 | 0.909091 |
20 | 4BW | 0.462687 | 0.909091 |
21 | 5GP | 0.458333 | 0.897436 |
22 | G | 0.458333 | 0.897436 |
23 | GSP | 0.456693 | 0.843373 |
24 | GP3 | 0.455285 | 0.911392 |
25 | GDP ALF | 0.453846 | 0.855422 |
26 | GDP | 0.451613 | 0.886076 |
27 | GP2 | 0.451613 | 0.9 |
28 | GCP | 0.448819 | 0.8875 |
29 | GNH | 0.448 | 0.875 |
30 | PPS | 0.448 | 0.758621 |
31 | G2P | 0.445312 | 0.9 |
32 | PO4 PO4 A A A A PO4 | 0.442748 | 0.868421 |
33 | GTP | 0.440945 | 0.886076 |
34 | PAX | 0.440789 | 0.823529 |
35 | GMP | 0.438596 | 0.797468 |
36 | ADP BEF | 0.438017 | 0.857143 |
37 | ADP MG | 0.438017 | 0.857143 |
38 | G1R G1R | 0.434211 | 0.9125 |
39 | 38V | 0.434211 | 0.925 |
40 | GDD | 0.433824 | 0.876543 |
41 | GDC | 0.433824 | 0.876543 |
42 | GKE | 0.433824 | 0.876543 |
43 | G 5MC C U | 0.432749 | 0.857143 |
44 | BEF ADP | 0.432 | 0.835443 |
45 | 9BG | 0.431507 | 0.911392 |
46 | 3AM | 0.431034 | 0.844156 |
47 | COA FLC | 0.427632 | 0.747253 |
48 | 1YC | 0.427536 | 0.883117 |
49 | G1R | 0.426357 | 0.875 |
50 | GPG | 0.425373 | 0.9 |
51 | GDP 7MG | 0.42446 | 0.924051 |
52 | ATP MG | 0.424 | 0.857143 |
53 | ADP PO3 | 0.424 | 0.857143 |
54 | 4UR | 0.423611 | 0.909091 |
55 | 9GM | 0.423077 | 0.864198 |
56 | GNP | 0.423077 | 0.864198 |
57 | VO4 ADP | 0.421875 | 0.8375 |
58 | GTA | 0.421429 | 0.901235 |
59 | GMV | 0.418605 | 0.864198 |
60 | 2GP | 0.418033 | 0.873418 |
61 | G2R | 0.41791 | 0.876543 |
62 | JBT | 0.417526 | 0.752577 |
63 | GAV | 0.416667 | 0.853659 |
64 | AMP MG | 0.411765 | 0.844156 |
65 | BGO | 0.410959 | 0.888889 |
66 | ANP MG | 0.410853 | 0.825 |
67 | GDX | 0.408451 | 0.8875 |
68 | 6CK | 0.407143 | 0.855422 |
69 | GAP | 0.40625 | 0.8375 |
70 | YGP | 0.405797 | 0.845238 |
71 | PUA | 0.405229 | 0.831325 |
72 | G 6MZ C | 0.404762 | 0.844156 |
73 | APU | 0.40411 | 0.839506 |
74 | Y9Z | 0.402878 | 0.804598 |
75 | AGS | 0.401575 | 0.795181 |
76 | GKD | 0.401408 | 0.876543 |
77 | GFB | 0.4 | 0.876543 |
78 | GDR | 0.4 | 0.876543 |
79 | ALF ADP | 0.4 | 0.795181 |
80 | ADP BMA | 0.4 | 0.8375 |
81 | GTG | 0.4 | 0.901235 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 6vcq.bio1) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |