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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 277 families. | |||||
1 | 4LXY | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
2 | 4LY3 | - | 1YJ | C19 H23 N7 O6 | c1cc(ccc1C.... |
3 | 4LXX | - | FON | C20 H23 N7 O7 | c1cc(ccc1C.... |
4 | 4LXQ | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
5 | 4LXU | - | FON | C20 H23 N7 O7 | c1cc(ccc1C.... |
6 | 4LY0 | - | 1YA | C20 H23 N7 O7 | c1cc(ccc1C.... |
7 | 4LXT | - | FON | C20 H23 N7 O7 | c1cc(ccc1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 212 families. | |||||
1 | 4LXY | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
2 | 4LY3 | - | 1YJ | C19 H23 N7 O6 | c1cc(ccc1C.... |
3 | 4LXX | - | FON | C20 H23 N7 O7 | c1cc(ccc1C.... |
4 | 4LXQ | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
5 | 4LXU | - | FON | C20 H23 N7 O7 | c1cc(ccc1C.... |
6 | 4LY0 | - | 1YA | C20 H23 N7 O7 | c1cc(ccc1C.... |
7 | 4LXT | - | FON | C20 H23 N7 O7 | c1cc(ccc1C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | FNF | 1 | 1 |
2 | 1YF | 1 | 1 |
3 | MMF | 0.83871 | 0.986667 |
4 | 4TG | 0.785714 | 1 |
5 | 18T | 0.776596 | 0.986486 |
6 | TRH | 0.776596 | 0.986486 |
7 | 1JB | 0.776596 | 0.986486 |
8 | FUH | 0.76699 | 0.986667 |
9 | QUH | 0.76699 | 0.986667 |
10 | T3F | 0.760417 | 0.986667 |
11 | T3Q | 0.760417 | 0.986667 |
12 | QDM | 0.73 | 0.948052 |
13 | 0FX | 0.71 | 0.986667 |
14 | T46 | 0.683168 | 0.986486 |
15 | DAU | 0.68 | 0.96 |
16 | TDX | 0.67 | 0.972973 |
17 | 3R2 | 0.653465 | 0.947368 |
18 | 0N2 | 0.650485 | 0.973684 |
19 | TTP | 0.638298 | 0.92 |
20 | TYD | 0.630435 | 0.92 |
21 | 3YN | 0.625 | 0.96 |
22 | DWN | 0.609524 | 0.960526 |
23 | TQP | 0.587302 | 0.890244 |
24 | 7SG | 0.587302 | 0.890244 |
25 | TLO | 0.582524 | 0.921053 |
26 | AKM | 0.581818 | 0.936709 |
27 | JHZ | 0.581818 | 0.935897 |
28 | TMP | 0.576087 | 0.906667 |
29 | T5K | 0.55814 | 0.902439 |
30 | T4K | 0.55814 | 0.902439 |
31 | 9RC | 0.54717 | 0.811765 |
32 | TTP MG | 0.519608 | 0.893333 |
33 | TBD | 0.490196 | 0.884615 |
34 | T5A | 0.488 | 0.86747 |
35 | AZD | 0.462963 | 0.8625 |
36 | 0DN | 0.462366 | 0.789474 |
37 | 3DR DT DT DT DT DT | 0.458333 | 0.907895 |
38 | ATY | 0.457944 | 0.921053 |
39 | LLT | 0.456522 | 0.826667 |
40 | THM | 0.456522 | 0.826667 |
41 | THP | 0.441176 | 0.893333 |
42 | UFP | 0.44 | 0.835443 |
43 | TPE | 0.435897 | 0.922078 |
44 | ATM | 0.433962 | 0.85 |
45 | T3P | 0.424242 | 0.868421 |
46 | 5HU | 0.421569 | 0.894737 |
47 | BRU | 0.421569 | 0.835443 |
48 | DUT | 0.420561 | 0.88 |
49 | D3T | 0.420561 | 0.894737 |
50 | DT ME6 DT | 0.418605 | 0.873418 |
51 | 5IU | 0.417476 | 0.835443 |
52 | FDM | 0.417476 | 0.848101 |
53 | NYM | 0.417476 | 0.907895 |
54 | TXS | 0.411765 | 0.772152 |
55 | 4TA | 0.410448 | 0.833333 |
56 | DUD | 0.409524 | 0.88 |
57 | BVP | 0.407407 | 0.87013 |
58 | F5G | 0.404762 | 0.918919 |
59 | T3S | 0.403846 | 0.794872 |
60 | ABT | 0.401709 | 0.841463 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | THG | 1 | 1 |
2 | 1YJ | 1 | 1 |
3 | 1YA | 0.66 | 0.954545 |
4 | C2F | 0.623762 | 0.887324 |
5 | FFO | 0.617647 | 0.926471 |
6 | FON | 0.518182 | 0.926471 |
7 | THF | 0.490909 | 0.873239 |
8 | 9L9 | 0.484848 | 0.892308 |
9 | TLL | 0.478632 | 0.863014 |
10 | FGD | 0.471698 | 0.846154 |
11 | MEF | 0.469027 | 0.84 |
12 | DHF | 0.462963 | 1 |
13 | THH | 0.455357 | 0.733333 |
14 | GHC | 0.454545 | 0.684211 |
15 | 29C | 0.452174 | 0.838235 |
16 | 28Z | 0.452174 | 0.838235 |
17 | 3TZ | 0.452174 | 0.774648 |
18 | 29D | 0.452174 | 0.838235 |
19 | 83A | 0.45045 | 0.826087 |
20 | GHW | 0.449541 | 0.693333 |
21 | GUE | 0.431034 | 0.875 |
22 | FOL | 0.428571 | 0.863636 |
23 | DZF | 0.428571 | 0.848485 |
24 | LYA | 0.422018 | 0.782609 |
25 | DXZ | 0.401786 | 0.777778 |
26 | DXY | 0.401786 | 0.777778 |
27 | DDF | 0.4 | 0.910448 |
28 | 21V | 0.4 | 0.910448 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | T3F | 1 | 1 |
2 | T3Q | 1 | 1 |
3 | 18T | 0.840909 | 0.973333 |
4 | TRH | 0.840909 | 0.973333 |
5 | 1JB | 0.840909 | 0.973333 |
6 | 0FX | 0.804348 | 1 |
7 | MMF | 0.784946 | 0.973684 |
8 | QDM | 0.768421 | 0.935897 |
9 | FNF | 0.760417 | 0.986667 |
10 | 1YF | 0.760417 | 0.986667 |
11 | T46 | 0.71875 | 0.973333 |
12 | 0N2 | 0.71875 | 0.986842 |
13 | 4TG | 0.717172 | 0.986667 |
14 | DAU | 0.715789 | 0.947368 |
15 | TDX | 0.705263 | 0.96 |
16 | FUH | 0.701923 | 0.973684 |
17 | QUH | 0.701923 | 0.973684 |
18 | 3R2 | 0.6875 | 0.935065 |
19 | TTP | 0.674157 | 0.907895 |
20 | DWN | 0.673469 | 0.973684 |
21 | TYD | 0.666667 | 0.907895 |
22 | 3YN | 0.64 | 0.947368 |
23 | TLO | 0.628866 | 0.909091 |
24 | AKM | 0.625 | 0.949367 |
25 | JHZ | 0.625 | 0.948718 |
26 | TMP | 0.609195 | 0.894737 |
27 | TQP | 0.598361 | 0.879518 |
28 | 7SG | 0.598361 | 0.879518 |
29 | 9RC | 0.574257 | 0.802326 |
30 | T4K | 0.568 | 0.891566 |
31 | T5K | 0.568 | 0.891566 |
32 | TTP MG | 0.5625 | 0.881579 |
33 | T5A | 0.521008 | 0.879518 |
34 | TBD | 0.515464 | 0.873418 |
35 | 3DR DT DT DT DT DT | 0.491228 | 0.896104 |
36 | 0DN | 0.488636 | 0.779221 |
37 | LLT | 0.482759 | 0.815789 |
38 | THM | 0.482759 | 0.815789 |
39 | AZD | 0.471154 | 0.851852 |
40 | NYM | 0.46875 | 0.921053 |
41 | ATY | 0.466019 | 0.909091 |
42 | THP | 0.463918 | 0.881579 |
43 | UFP | 0.463158 | 0.825 |
44 | 4TA | 0.460317 | 0.845238 |
45 | TPE | 0.455357 | 0.910256 |
46 | FDM | 0.453608 | 0.8375 |
47 | T3P | 0.446809 | 0.857143 |
48 | 5HU | 0.443299 | 0.883117 |
49 | BRU | 0.443299 | 0.825 |
50 | DUT | 0.441176 | 0.868421 |
51 | ATM | 0.441176 | 0.839506 |
52 | D3T | 0.441176 | 0.883117 |
53 | 5IU | 0.438776 | 0.825 |
54 | DT ME6 DT | 0.435484 | 0.8625 |
55 | TXS | 0.43299 | 0.7625 |
56 | DUD | 0.43 | 0.868421 |
57 | AWU | 0.427273 | 0.893333 |
58 | BVP | 0.427184 | 0.858974 |
59 | T3S | 0.424242 | 0.78481 |
60 | ABT | 0.40708 | 0.831325 |
61 | DCP | 0.40566 | 0.835443 |
62 | 2DT | 0.402062 | 0.87013 |
No: | Ligand | Similarity coefficient |
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No: | Ligand | Similarity coefficient |
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No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 1) in the query (biounit: 4lxq.bio1) has 36 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4lxq.bio1) has 36 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4lxq.bio1) has 36 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4lxq.bio1) has 36 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |