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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 29 families. | |||||
1 | 1DZT | - | TPE | C18 H22 N2 O12 P2 | CC1=CN(C(=.... |
2 | 2IXI | Ka = 1320 M^-1 | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
3 | 2IXH | Ka = 11600 M^-1 | TRH | C16 H26 N2 O15 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 21 families. | |||||
1 | 1DZT | - | TPE | C18 H22 N2 O12 P2 | CC1=CN(C(=.... |
2 | 2IXI | Ka = 1320 M^-1 | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
3 | 2IXH | Ka = 11600 M^-1 | TRH | C16 H26 N2 O15 P2 | C[C@H]1[C@.... |
4 | 1EPZ | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
5 | 5BUV | - | CYT | C4 H5 N3 O | C1=C(NC(=O.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ATY | 1 | 1 |
2 | TPE | 0.744186 | 0.946667 |
3 | TYD | 0.670886 | 0.945205 |
4 | AZD | 0.609195 | 0.884615 |
5 | TTP | 0.6 | 0.945205 |
6 | THP | 0.592593 | 0.944444 |
7 | T3P | 0.556962 | 0.917808 |
8 | TMP | 0.548781 | 0.931507 |
9 | FDM | 0.542169 | 0.894737 |
10 | NYM | 0.52381 | 0.906667 |
11 | TLO | 0.510417 | 0.894737 |
12 | D3T | 0.505618 | 0.945205 |
13 | 9RC | 0.489796 | 0.788235 |
14 | ABT | 0.489796 | 0.8625 |
15 | TTP MG | 0.48913 | 0.891892 |
16 | ATM | 0.488889 | 0.871795 |
17 | LLT | 0.487179 | 0.824324 |
18 | THM | 0.487179 | 0.824324 |
19 | DAU | 0.485149 | 0.907895 |
20 | 1JB | 0.475248 | 0.933333 |
21 | 18T | 0.475248 | 0.933333 |
22 | 3R2 | 0.475248 | 0.921053 |
23 | TRH | 0.475248 | 0.933333 |
24 | TDX | 0.475248 | 0.92 |
25 | 0DN | 0.475 | 0.786667 |
26 | TBD | 0.472527 | 0.907895 |
27 | D4D | 0.47191 | 0.902778 |
28 | DWN | 0.466019 | 0.934211 |
29 | 3YN | 0.466019 | 0.959459 |
30 | T3Q | 0.466019 | 0.909091 |
31 | T3F | 0.466019 | 0.909091 |
32 | 2DT | 0.464286 | 0.931507 |
33 | 0N2 | 0.461538 | 0.922078 |
34 | T46 | 0.461538 | 0.933333 |
35 | FNF | 0.457944 | 0.921053 |
36 | JHZ | 0.457944 | 0.910256 |
37 | AKM | 0.457944 | 0.911392 |
38 | 1YF | 0.457944 | 0.921053 |
39 | MMF | 0.457143 | 0.909091 |
40 | 0FX | 0.457143 | 0.909091 |
41 | 3DR DT DT DT DT DT | 0.453704 | 0.881579 |
42 | QDM | 0.448598 | 0.897436 |
43 | 4TG | 0.440367 | 0.921053 |
44 | QUH | 0.438596 | 0.909091 |
45 | FUH | 0.438596 | 0.909091 |
46 | AZZ | 0.436782 | 0.759494 |
47 | T5A | 0.435897 | 0.8 |
48 | DUD | 0.428571 | 0.90411 |
49 | DT ME6 DT | 0.422414 | 0.848101 |
50 | D4T | 0.421053 | 0.902778 |
51 | PAX | 0.417323 | 0.809524 |
52 | TXS | 0.41573 | 0.746835 |
53 | T3S | 0.406593 | 0.746835 |
54 | UFP | 0.4 | 0.857143 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | TPE | 1 | 1 |
2 | ATY | 0.744186 | 0.946667 |
3 | TLO | 0.725275 | 0.946667 |
4 | TTP | 0.510204 | 0.894737 |
5 | TYD | 0.5 | 0.894737 |
6 | THP | 0.5 | 0.893333 |
7 | T3P | 0.483516 | 0.868421 |
8 | 9RC | 0.476636 | 0.833333 |
9 | FDM | 0.473684 | 0.848101 |
10 | TMP | 0.463158 | 0.881579 |
11 | AZD | 0.461538 | 0.839506 |
12 | T3F | 0.455357 | 0.910256 |
13 | T3Q | 0.455357 | 0.910256 |
14 | UPP | 0.45283 | 0.855263 |
15 | 1JB | 0.45045 | 0.934211 |
16 | TDX | 0.45045 | 0.921053 |
17 | 18T | 0.45045 | 0.934211 |
18 | TRH | 0.45045 | 0.934211 |
19 | 3R2 | 0.45045 | 0.922078 |
20 | DAU | 0.446429 | 0.909091 |
21 | NYM | 0.443299 | 0.858974 |
22 | DWN | 0.442478 | 0.935065 |
23 | 3YN | 0.442478 | 0.96 |
24 | 0N2 | 0.438596 | 0.923077 |
25 | T46 | 0.438596 | 0.934211 |
26 | JHZ | 0.435897 | 0.911392 |
27 | FNF | 0.435897 | 0.922078 |
28 | AKM | 0.435897 | 0.888889 |
29 | 1YF | 0.435897 | 0.922078 |
30 | MMF | 0.434783 | 0.910256 |
31 | 0FX | 0.434783 | 0.910256 |
32 | D3T | 0.431373 | 0.894737 |
33 | FUH | 0.430894 | 0.910256 |
34 | QUH | 0.430894 | 0.910256 |
35 | QDM | 0.42735 | 0.898734 |
36 | 4TG | 0.420168 | 0.922078 |
37 | TTP MG | 0.419048 | 0.868421 |
38 | ATM | 0.417476 | 0.82716 |
39 | 0DN | 0.413043 | 0.766234 |
40 | LLT | 0.406593 | 0.802632 |
41 | THM | 0.406593 | 0.802632 |
42 | T5A | 0.40625 | 0.823529 |
43 | TBD | 0.403846 | 0.860759 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 1dzt.bio1) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1dzt.bio1) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |