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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 1331 families. | |||||
1 | 6V2T | - | 0FX | C16 H27 N3 O14 P2 | C[C@@H]1[C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 212 families. | |||||
1 | 4NV1 | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
2 | 4YFY | - | 0FX | C16 H27 N3 O14 P2 | C[C@@H]1[C.... |
3 | 6V33 | - | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
4 | 5VYQ | - | FON | C20 H23 N7 O7 | c1cc(ccc1C.... |
5 | 6V2T | - | 0FX | C16 H27 N3 O14 P2 | C[C@@H]1[C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 0FX | 1 | 1 |
2 | T3F | 0.804348 | 1 |
3 | T3Q | 0.804348 | 1 |
4 | 1JB | 0.802198 | 0.973333 |
5 | 18T | 0.802198 | 0.973333 |
6 | TRH | 0.802198 | 0.973333 |
7 | 4TG | 0.737374 | 0.986667 |
8 | MMF | 0.731959 | 0.973684 |
9 | DAU | 0.71875 | 0.947368 |
10 | QDM | 0.717172 | 0.935897 |
11 | 1YF | 0.71 | 0.986667 |
12 | FNF | 0.71 | 0.986667 |
13 | TDX | 0.708333 | 0.96 |
14 | T46 | 0.704082 | 0.973333 |
15 | 0N2 | 0.686869 | 0.986842 |
16 | DWN | 0.66 | 0.973684 |
17 | TTP | 0.659341 | 0.907895 |
18 | QUH | 0.657407 | 0.973684 |
19 | FUH | 0.657407 | 0.973684 |
20 | 3R2 | 0.656566 | 0.935065 |
21 | TYD | 0.651685 | 0.907895 |
22 | 3YN | 0.627451 | 0.947368 |
23 | JHZ | 0.613208 | 0.948718 |
24 | AKM | 0.613208 | 0.949367 |
25 | TLO | 0.6 | 0.909091 |
26 | TMP | 0.595506 | 0.894737 |
27 | T4K | 0.584 | 0.891566 |
28 | T5K | 0.584 | 0.891566 |
29 | 7SG | 0.563492 | 0.879518 |
30 | TQP | 0.563492 | 0.879518 |
31 | 9RC | 0.548077 | 0.802326 |
32 | TTP MG | 0.535354 | 0.881579 |
33 | TBD | 0.520408 | 0.873418 |
34 | T5A | 0.512397 | 0.879518 |
35 | 3DR DT DT DT DT DT | 0.495652 | 0.896104 |
36 | 0DN | 0.477778 | 0.779221 |
37 | AZD | 0.47619 | 0.851852 |
38 | LLT | 0.47191 | 0.815789 |
39 | THM | 0.47191 | 0.815789 |
40 | JB2 | 0.470588 | 0.747126 |
41 | UFP | 0.46875 | 0.825 |
42 | NYM | 0.459184 | 0.921053 |
43 | ATY | 0.457143 | 0.909091 |
44 | 5HU | 0.44898 | 0.883117 |
45 | DUT | 0.446602 | 0.868421 |
46 | ATM | 0.446602 | 0.839506 |
47 | 4TA | 0.44186 | 0.845238 |
48 | THP | 0.44 | 0.881579 |
49 | DT ME6 DT | 0.44 | 0.8625 |
50 | TXS | 0.438776 | 0.7625 |
51 | T3P | 0.4375 | 0.857143 |
52 | DUD | 0.435644 | 0.868421 |
53 | TPE | 0.434783 | 0.910256 |
54 | BRU | 0.434343 | 0.825 |
55 | D3T | 0.432692 | 0.883117 |
56 | AWU | 0.432432 | 0.893333 |
57 | FDM | 0.43 | 0.8375 |
58 | T3S | 0.43 | 0.78481 |
59 | 5IU | 0.43 | 0.825 |
60 | F5P | 0.42623 | 0.92 |
61 | UD4 | 0.42623 | 0.92 |
62 | ABT | 0.412281 | 0.831325 |
63 | DCP | 0.411215 | 0.835443 |
64 | BVP | 0.40566 | 0.858974 |
65 | UDX | 0.4 | 0.893333 |
66 | YYY | 0.4 | 0.835443 |
67 | UAD | 0.4 | 0.893333 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | FOL | 1 | 1 |
2 | 28Z | 0.617647 | 0.967742 |
3 | 29D | 0.617647 | 0.967742 |
4 | 29C | 0.617647 | 0.967742 |
5 | DZF | 0.58 | 0.983333 |
6 | 04J | 0.545455 | 0.885246 |
7 | FGD | 0.524752 | 0.95 |
8 | DHF | 0.514563 | 0.863636 |
9 | 9L9 | 0.45 | 0.791045 |
10 | FON | 0.447368 | 0.802817 |
11 | 3TZ | 0.447368 | 0.863636 |
12 | THF | 0.446429 | 0.780822 |
13 | 83A | 0.445455 | 0.921875 |
14 | TLL | 0.436975 | 0.75 |
15 | LYA | 0.429907 | 0.875 |
16 | FFO | 0.429825 | 0.802817 |
17 | THG | 0.428571 | 0.863636 |
18 | 1YJ | 0.428571 | 0.863636 |
19 | C2F | 0.421053 | 0.77027 |
20 | MTX | 0.410714 | 0.779412 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 6v2t.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6v2t.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |