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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 277 families. | |||||
1 | 4RIH | - | 3R2 | C17 H28 N2 O13 P2 | C[C@H]1C[C.... |
2 | 4RII | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
3 | 4RIF | - | 3R2 | C17 H28 N2 O13 P2 | C[C@H]1C[C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 212 families. | |||||
1 | 4RIH | - | 3R2 | C17 H28 N2 O13 P2 | C[C@H]1C[C.... |
2 | 4RII | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
3 | 4RIF | - | 3R2 | C17 H28 N2 O13 P2 | C[C@H]1C[C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 3R2 | 1 | 1 |
2 | TTP | 0.689655 | 0.92 |
3 | T3F | 0.6875 | 0.935065 |
4 | T3Q | 0.6875 | 0.935065 |
5 | 18T | 0.684211 | 0.96 |
6 | TRH | 0.684211 | 0.96 |
7 | 1JB | 0.684211 | 0.96 |
8 | TYD | 0.682353 | 0.92 |
9 | MMF | 0.673469 | 0.935065 |
10 | TDX | 0.666667 | 0.946667 |
11 | T46 | 0.663265 | 0.96 |
12 | 0N2 | 0.663265 | 0.948052 |
13 | DAU | 0.659794 | 0.934211 |
14 | 0FX | 0.656566 | 0.935065 |
15 | 1YF | 0.653465 | 0.947368 |
16 | FNF | 0.653465 | 0.947368 |
17 | DWN | 0.653061 | 0.935065 |
18 | 3YN | 0.653061 | 0.96 |
19 | QDM | 0.643564 | 0.898734 |
20 | JHZ | 0.637255 | 0.935897 |
21 | 4TG | 0.631068 | 0.947368 |
22 | TLO | 0.625 | 0.921053 |
23 | TMP | 0.623529 | 0.906667 |
24 | AKM | 0.621359 | 0.936709 |
25 | FUH | 0.62037 | 0.960526 |
26 | QUH | 0.62037 | 0.960526 |
27 | 9RC | 0.57 | 0.811765 |
28 | TTP MG | 0.557895 | 0.893333 |
29 | T5A | 0.529915 | 0.845238 |
30 | TBD | 0.526316 | 0.884615 |
31 | 7SG | 0.519685 | 0.845238 |
32 | TQP | 0.519685 | 0.845238 |
33 | T4K | 0.515625 | 0.857143 |
34 | T5K | 0.515625 | 0.857143 |
35 | 0DN | 0.5 | 0.789474 |
36 | LLT | 0.494118 | 0.826667 |
37 | THM | 0.494118 | 0.826667 |
38 | ATY | 0.475248 | 0.921053 |
39 | UFP | 0.473118 | 0.835443 |
40 | AZD | 0.466019 | 0.839506 |
41 | 3DR DT DT DT DT DT | 0.46087 | 0.907895 |
42 | THP | 0.458333 | 0.893333 |
43 | T3P | 0.456522 | 0.868421 |
44 | DT ME6 DT | 0.454545 | 0.873418 |
45 | BRU | 0.452632 | 0.835443 |
46 | 5HU | 0.452632 | 0.894737 |
47 | TPE | 0.45045 | 0.922078 |
48 | NYM | 0.447917 | 0.883117 |
49 | 5IU | 0.447917 | 0.835443 |
50 | FDM | 0.447917 | 0.848101 |
51 | 4TA | 0.444444 | 0.811765 |
52 | TXS | 0.442105 | 0.75 |
53 | D3T | 0.435644 | 0.894737 |
54 | BVP | 0.435644 | 0.87013 |
55 | ATM | 0.435644 | 0.82716 |
56 | DUT | 0.435644 | 0.88 |
57 | T3S | 0.43299 | 0.772152 |
58 | DUD | 0.424242 | 0.88 |
59 | ABT | 0.401786 | 0.819277 |
This union binding pocket(no: 1) in the query (biounit: 4rif.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4rif.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |