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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1331 families. | |||||
1 | 2JLB | Kd = 4.2 uM | UDM | C18 H29 N3 O16 P2 | CC(=O)N[C@.... |
2 | 2XGS | Kd = 0.53 mM | 44P | C10 H16 N2 O11 P2 | C1=CN(C(=O.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 2JLB | Kd = 4.2 uM | UDM | C18 H29 N3 O16 P2 | CC(=O)N[C@.... |
2 | 2XGS | Kd = 0.53 mM | 44P | C10 H16 N2 O11 P2 | C1=CN(C(=O.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 44P | 1 | 1 |
2 | U | 0.790323 | 0.941176 |
3 | U5P | 0.790323 | 0.941176 |
4 | UDP | 0.720588 | 0.955882 |
5 | UDP UDP | 0.695652 | 0.898551 |
6 | UTP | 0.690141 | 0.955882 |
7 | U5F | 0.680556 | 0.955882 |
8 | 2KH | 0.680556 | 0.928571 |
9 | UNP | 0.662162 | 0.928571 |
10 | Y6W | 0.65 | 0.90411 |
11 | UPU | 0.644737 | 0.9 |
12 | 660 | 0.617284 | 0.915493 |
13 | URM | 0.617284 | 0.915493 |
14 | UPP | 0.604938 | 0.901408 |
15 | UDH | 0.604938 | 0.88 |
16 | URI | 0.603175 | 0.826087 |
17 | GDU | 0.597561 | 0.901408 |
18 | UFM | 0.597561 | 0.901408 |
19 | UPG | 0.597561 | 0.901408 |
20 | U2F | 0.595238 | 0.853333 |
21 | UPF | 0.595238 | 0.853333 |
22 | AWU | 0.590361 | 0.901408 |
23 | UAD | 0.576471 | 0.928571 |
24 | UDX | 0.576471 | 0.928571 |
25 | UFG | 0.576471 | 0.853333 |
26 | UGF | 0.574713 | 0.864865 |
27 | UC5 | 0.573333 | 0.942857 |
28 | UGA | 0.563218 | 0.914286 |
29 | USQ | 0.563218 | 0.8125 |
30 | UGB | 0.563218 | 0.914286 |
31 | UDP GAL | 0.55814 | 0.875 |
32 | G3N | 0.556818 | 0.902778 |
33 | CJB | 0.552239 | 0.785714 |
34 | 3UC | 0.550562 | 0.853333 |
35 | UDM | 0.549451 | 0.902778 |
36 | UA3 | 0.527778 | 0.898551 |
37 | U3P | 0.527778 | 0.898551 |
38 | UD1 | 0.521277 | 0.888889 |
39 | UD2 | 0.521277 | 0.888889 |
40 | CSQ | 0.516129 | 0.818182 |
41 | CSV | 0.516129 | 0.818182 |
42 | U4S | 0.513514 | 0.746667 |
43 | FZK | 0.511905 | 0.771084 |
44 | HP7 | 0.510417 | 0.901408 |
45 | UD7 | 0.510417 | 0.888889 |
46 | MJZ | 0.505155 | 0.876712 |
47 | U2S | 0.5 | 0.76 |
48 | U3S | 0.5 | 0.746667 |
49 | F5P | 0.5 | 0.876712 |
50 | HWU | 0.5 | 0.864865 |
51 | 12V | 0.5 | 0.864865 |
52 | F5G | 0.5 | 0.888889 |
53 | 4TC | 0.5 | 0.846154 |
54 | UD4 | 0.5 | 0.876712 |
55 | UP5 | 0.49505 | 0.820513 |
56 | 2TM | 0.493976 | 0.944444 |
57 | IUG | 0.49 | 0.780488 |
58 | LSU | 0.488636 | 0.732558 |
59 | U2P | 0.486486 | 0.913043 |
60 | UDZ | 0.480392 | 0.820513 |
61 | EPZ | 0.471154 | 0.876712 |
62 | YSU | 0.468085 | 0.741176 |
63 | EPU | 0.466667 | 0.864865 |
64 | EEB | 0.466667 | 0.864865 |
65 | DKX | 0.465753 | 0.716216 |
66 | U1S | 0.465116 | 0.74359 |
67 | UUA | 0.457143 | 0.73913 |
68 | UTP U U U | 0.455556 | 0.857143 |
69 | 5FU | 0.454545 | 0.876712 |
70 | CAR | 0.448718 | 0.888889 |
71 | C | 0.448718 | 0.888889 |
72 | C5P | 0.448718 | 0.888889 |
73 | CNU | 0.444444 | 0.888889 |
74 | 5BU | 0.443038 | 0.876712 |
75 | UMF | 0.441558 | 0.821918 |
76 | PUP | 0.44086 | 0.928571 |
77 | UMA | 0.433628 | 0.876712 |
78 | UMP | 0.43038 | 0.914286 |
79 | DU | 0.43038 | 0.914286 |
80 | 16B | 0.419753 | 0.853333 |
81 | S5P | 0.417722 | 0.878378 |
82 | CDP | 0.416667 | 0.902778 |
83 | 0RC | 0.41573 | 0.855263 |
84 | U22 | 0.411765 | 0.804878 |
85 | U20 | 0.411765 | 0.825 |
86 | U21 | 0.411765 | 0.825 |
87 | 2TU | 0.410959 | 0.743243 |
88 | UP6 | 0.405063 | 0.835616 |
89 | 2QR | 0.404959 | 0.8375 |
90 | DUD | 0.404762 | 0.928571 |
91 | N3E | 0.404762 | 0.727273 |
92 | DUT | 0.402299 | 0.928571 |
93 | CTP | 0.402299 | 0.902778 |
94 | HF4 | 0.402299 | 0.902778 |
95 | 7XL | 0.4 | 0.878378 |
96 | CDP MG | 0.4 | 0.849315 |
97 | BMP | 0.4 | 0.928571 |
This union binding pocket(no: 1) in the query (biounit: 2jlb.bio2) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2jlb.bio1) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |