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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 271 families. | |||||
1 | 4J7G | - | TRH | C16 H26 N2 O15 P2 | C[C@H]1[C@.... |
2 | 4J7H | - | 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 223 families. | |||||
1 | 4J7G | - | TRH | C16 H26 N2 O15 P2 | C[C@H]1[C@.... |
2 | 4J7H | - | TRH | C16 H26 N2 O15 P2 | C[C@H]1[C@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | TRH | 1 | 1 |
2 | 1JB | 1 | 1 |
3 | 18T | 1 | 1 |
4 | T3Q | 0.840909 | 0.973333 |
5 | T3F | 0.840909 | 0.973333 |
6 | 0FX | 0.802198 | 0.973333 |
7 | MMF | 0.802198 | 0.973333 |
8 | DAU | 0.788889 | 0.972973 |
9 | QDM | 0.784946 | 0.935065 |
10 | 1YF | 0.776596 | 0.986486 |
11 | FNF | 0.776596 | 0.986486 |
12 | 4TG | 0.768421 | 0.986486 |
13 | TDX | 0.73913 | 0.986301 |
14 | T46 | 0.734043 | 1 |
15 | QUH | 0.715686 | 0.973333 |
16 | FUH | 0.715686 | 0.973333 |
17 | 0N2 | 0.697917 | 0.960526 |
18 | TTP | 0.689655 | 0.932432 |
19 | 3R2 | 0.684211 | 0.96 |
20 | TYD | 0.682353 | 0.932432 |
21 | 3YN | 0.653061 | 0.972973 |
22 | DWN | 0.653061 | 0.947368 |
23 | JHZ | 0.637255 | 0.923077 |
24 | AKM | 0.637255 | 0.924051 |
25 | TLO | 0.625 | 0.933333 |
26 | TMP | 0.623529 | 0.918919 |
27 | 7SG | 0.608333 | 0.878049 |
28 | TQP | 0.608333 | 0.878049 |
29 | T4K | 0.603306 | 0.890244 |
30 | T5K | 0.603306 | 0.890244 |
31 | 9RC | 0.585859 | 0.821429 |
32 | TTP MG | 0.557895 | 0.905405 |
33 | TBD | 0.526316 | 0.896104 |
34 | AWU | 0.519608 | 0.891892 |
35 | T5A | 0.516949 | 0.855422 |
36 | 0DN | 0.5 | 0.8 |
37 | 3DR DT DT DT DT DT | 0.5 | 0.92 |
38 | LLT | 0.494118 | 0.837838 |
39 | THM | 0.494118 | 0.837838 |
40 | UFP | 0.48913 | 0.846154 |
41 | AZD | 0.480392 | 0.85 |
42 | ATY | 0.475248 | 0.933333 |
43 | THP | 0.473684 | 0.905405 |
44 | 5HU | 0.468085 | 0.906667 |
45 | T3P | 0.456522 | 0.88 |
46 | BRU | 0.452632 | 0.846154 |
47 | TPE | 0.45045 | 0.934211 |
48 | DUT | 0.45 | 0.891892 |
49 | D3T | 0.45 | 0.906667 |
50 | ATM | 0.45 | 0.8375 |
51 | GDR | 0.448276 | 0.724138 |
52 | GFB | 0.448276 | 0.724138 |
53 | 5IU | 0.447917 | 0.846154 |
54 | NYM | 0.447917 | 0.894737 |
55 | FDM | 0.447917 | 0.858974 |
56 | TXS | 0.442105 | 0.759494 |
57 | DUD | 0.438776 | 0.891892 |
58 | 4TA | 0.433071 | 0.821429 |
59 | T3S | 0.43299 | 0.782051 |
60 | DT ME6 DT | 0.430894 | 0.884615 |
61 | BVP | 0.421569 | 0.881579 |
62 | ABT | 0.414414 | 0.829268 |
63 | 2DT | 0.410526 | 0.893333 |
64 | UGB | 0.40708 | 0.878378 |
65 | UGA | 0.40708 | 0.878378 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | TRH | 1 | 1 |
2 | 1JB | 1 | 1 |
3 | 18T | 1 | 1 |
4 | T3Q | 0.840909 | 0.973333 |
5 | T3F | 0.840909 | 0.973333 |
6 | 0FX | 0.802198 | 0.973333 |
7 | MMF | 0.802198 | 0.973333 |
8 | DAU | 0.788889 | 0.972973 |
9 | QDM | 0.784946 | 0.935065 |
10 | 1YF | 0.776596 | 0.986486 |
11 | FNF | 0.776596 | 0.986486 |
12 | 4TG | 0.768421 | 0.986486 |
13 | TDX | 0.73913 | 0.986301 |
14 | T46 | 0.734043 | 1 |
15 | QUH | 0.715686 | 0.973333 |
16 | FUH | 0.715686 | 0.973333 |
17 | 0N2 | 0.697917 | 0.960526 |
18 | TTP | 0.689655 | 0.932432 |
19 | 3R2 | 0.684211 | 0.96 |
20 | TYD | 0.682353 | 0.932432 |
21 | 3YN | 0.653061 | 0.972973 |
22 | DWN | 0.653061 | 0.947368 |
23 | JHZ | 0.637255 | 0.923077 |
24 | AKM | 0.637255 | 0.924051 |
25 | TLO | 0.625 | 0.933333 |
26 | TMP | 0.623529 | 0.918919 |
27 | 7SG | 0.608333 | 0.878049 |
28 | TQP | 0.608333 | 0.878049 |
29 | T4K | 0.603306 | 0.890244 |
30 | T5K | 0.603306 | 0.890244 |
31 | 9RC | 0.585859 | 0.821429 |
32 | TTP MG | 0.557895 | 0.905405 |
33 | TBD | 0.526316 | 0.896104 |
34 | AWU | 0.519608 | 0.891892 |
35 | T5A | 0.516949 | 0.855422 |
36 | 0DN | 0.5 | 0.8 |
37 | 3DR DT DT DT DT DT | 0.5 | 0.92 |
38 | LLT | 0.494118 | 0.837838 |
39 | THM | 0.494118 | 0.837838 |
40 | UFP | 0.48913 | 0.846154 |
41 | AZD | 0.480392 | 0.85 |
42 | ATY | 0.475248 | 0.933333 |
43 | THP | 0.473684 | 0.905405 |
44 | 5HU | 0.468085 | 0.906667 |
45 | T3P | 0.456522 | 0.88 |
46 | BRU | 0.452632 | 0.846154 |
47 | TPE | 0.45045 | 0.934211 |
48 | DUT | 0.45 | 0.891892 |
49 | D3T | 0.45 | 0.906667 |
50 | ATM | 0.45 | 0.8375 |
51 | GDR | 0.448276 | 0.724138 |
52 | GFB | 0.448276 | 0.724138 |
53 | 5IU | 0.447917 | 0.846154 |
54 | NYM | 0.447917 | 0.894737 |
55 | FDM | 0.447917 | 0.858974 |
56 | TXS | 0.442105 | 0.759494 |
57 | DUD | 0.438776 | 0.891892 |
58 | 4TA | 0.433071 | 0.821429 |
59 | T3S | 0.43299 | 0.782051 |
60 | DT ME6 DT | 0.430894 | 0.884615 |
61 | BVP | 0.421569 | 0.881579 |
62 | ABT | 0.414414 | 0.829268 |
63 | 2DT | 0.410526 | 0.893333 |
64 | UGB | 0.40708 | 0.878378 |
65 | UGA | 0.40708 | 0.878378 |
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: 4j7h.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4j7h.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4j7h.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4j7h.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 4j7h.bio3) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 4j7h.bio3) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 4j7h.bio3) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 4j7h.bio3) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 9) in the query (biounit: 4j7h.bio3) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 10) in the query (biounit: 4j7h.bio3) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 11) in the query (biounit: 4j7h.bio2) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 12) in the query (biounit: 4j7h.bio2) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 13) in the query (biounit: 4j7h.bio2) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 14) in the query (biounit: 4j7h.bio2) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |