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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 261 families. | |||||
1 | 5XD2 | - | 5FA | C10 H18 N5 O19 P5 | c1nc(c2c(n.... |
2 | 5GG7 | - | 8OG | C10 H14 N5 O8 P | C1[C@@H]([.... |
3 | 5GG8 | - | 8OG | C10 H14 N5 O8 P | C1[C@@H]([.... |
4 | 5XD4 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
5 | 5XD5 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
6 | 5GG6 | - | 8DG | C10 H16 N5 O14 P3 | C1[C@@H]([.... |
7 | 5XD1 | - | 5FA | C10 H18 N5 O19 P5 | c1nc(c2c(n.... |
8 | 6M72 | - | 8GD | C10 H15 N5 O11 P2 | C1[C@@H]([.... |
9 | 5GGB | - | 8GD | C10 H15 N5 O11 P2 | C1[C@@H]([.... |
10 | 5GGA | - | G8D | C10 H15 N5 O12 P2 | C([C@@H]1[.... |
11 | 6M6Y | - | 8DG | C10 H16 N5 O14 P3 | C1[C@@H]([.... |
12 | 5XD3 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
13 | 6M65 | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
14 | 5GG9 | - | 8GM | C10 H14 N5 O9 P | C([C@@H]1[.... |
15 | 6M69 | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 214 families. | |||||
1 | 5XD2 | - | 5FA | C10 H18 N5 O19 P5 | c1nc(c2c(n.... |
2 | 5GG7 | - | 8OG | C10 H14 N5 O8 P | C1[C@@H]([.... |
3 | 5GG8 | - | 8OG | C10 H14 N5 O8 P | C1[C@@H]([.... |
4 | 5XD4 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
5 | 5XD5 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
6 | 5GG6 | - | 8DG | C10 H16 N5 O14 P3 | C1[C@@H]([.... |
7 | 5XD1 | - | 5FA | C10 H18 N5 O19 P5 | c1nc(c2c(n.... |
8 | 6M72 | - | 8GD | C10 H15 N5 O11 P2 | C1[C@@H]([.... |
9 | 5GGB | - | 8GD | C10 H15 N5 O11 P2 | C1[C@@H]([.... |
10 | 5GGA | - | G8D | C10 H15 N5 O12 P2 | C([C@@H]1[.... |
11 | 6M6Y | - | 8DG | C10 H16 N5 O14 P3 | C1[C@@H]([.... |
12 | 5XD3 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
13 | 6M65 | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
14 | 5GG9 | - | 8GM | C10 H14 N5 O9 P | C([C@@H]1[.... |
15 | 6M69 | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | G8D | 1 | 1 |
2 | 8GT | 0.918919 | 1 |
3 | 8GM | 0.810811 | 0.986842 |
4 | 8GD | 0.613636 | 0.95 |
5 | 8DG | 0.586957 | 0.95 |
6 | M7G | 0.537634 | 0.914634 |
7 | 8OD | 0.516129 | 0.85 |
8 | MGT | 0.505155 | 0.914634 |
9 | 8OG | 0.494505 | 0.9375 |
10 | H6Y | 0.484536 | 0.85 |
11 | 8HG | 0.465116 | 0.851852 |
12 | UDP | 0.460674 | 0.855263 |
13 | CDP | 0.450549 | 0.907895 |
14 | UTP | 0.430108 | 0.855263 |
15 | FNU | 0.426966 | 0.8625 |
16 | U5F | 0.425532 | 0.855263 |
17 | CTP | 0.421053 | 0.907895 |
18 | HF4 | 0.421053 | 0.907895 |
19 | GDP | 0.42 | 0.875 |
20 | BMQ | 0.418605 | 0.794872 |
21 | BUP | 0.416667 | 0.825 |
22 | NUP | 0.41573 | 0.907895 |
23 | 5GW | 0.41 | 0.835443 |
24 | 2X3 | 0.40566 | 0.924051 |
25 | 8OP | 0.402062 | 0.8375 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 8GM | 1 | 1 |
2 | G8D | 0.810811 | 0.986842 |
3 | 8GT | 0.789474 | 0.986842 |
4 | 8OG | 0.585366 | 0.949367 |
5 | FNU | 0.531646 | 0.85 |
6 | BMQ | 0.526316 | 0.805195 |
7 | NUP | 0.518987 | 0.894737 |
8 | 8DG | 0.505376 | 0.9375 |
9 | 8GD | 0.494505 | 0.9375 |
10 | S5P | 0.4875 | 0.825 |
11 | BMP | 0.4875 | 0.868421 |
12 | U6M | 0.481481 | 0.855263 |
13 | 8HG | 0.481481 | 0.839506 |
14 | 8OP | 0.477273 | 0.848101 |
15 | 6CN | 0.47619 | 0.881579 |
16 | JW5 | 0.47561 | 0.844156 |
17 | 6AU | 0.458824 | 0.855263 |
18 | OMP | 0.458824 | 0.855263 |
19 | O7M | 0.454545 | 0.833333 |
20 | O7E | 0.444444 | 0.833333 |
21 | UP6 | 0.439024 | 0.831169 |
22 | H2U | 0.426829 | 0.78481 |
23 | U5P | 0.421687 | 0.853333 |
24 | U | 0.421687 | 0.853333 |
25 | 2OM | 0.418605 | 0.794872 |
26 | 5FU | 0.416667 | 0.822785 |
27 | MGT | 0.414141 | 0.902439 |
28 | M7G | 0.412371 | 0.902439 |
29 | C | 0.411765 | 0.906667 |
30 | C5P | 0.411765 | 0.906667 |
31 | CAR | 0.411765 | 0.906667 |
32 | 5BU | 0.406977 | 0.822785 |
33 | TKW | 0.406977 | 0.92 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 5GP | 0.9670 |
2 | XMP | 0.9628 |
3 | AMP | 0.9484 |
4 | 6CG | 0.9457 |
5 | IMP | 0.9408 |
6 | 8BR | 0.9401 |
7 | IMU | 0.9381 |
8 | G | 0.9380 |
9 | DA | 0.9355 |
10 | 71V | 0.9355 |
11 | 5HM | 0.9332 |
12 | FMP | 0.9317 |
13 | CNU | 0.9312 |
14 | 6OG | 0.9310 |
15 | D5M | 0.9289 |
16 | G7M | 0.9268 |
17 | 6MA | 0.9255 |
18 | Z8B | 0.9255 |
19 | 93A | 0.9254 |
20 | 45A | 0.9249 |
21 | ABM | 0.9228 |
22 | DGP | 0.9218 |
23 | O8M | 0.9214 |
24 | BRU | 0.9199 |
25 | DG | 0.9185 |
26 | N5O | 0.9179 |
27 | 3F5 | 0.9175 |
28 | 5HU | 0.9172 |
29 | 6MZ | 0.9162 |
30 | AS | 0.9113 |
31 | BVP | 0.9108 |
32 | AOC | 0.9106 |
33 | NEC | 0.9097 |
34 | DI | 0.9087 |
35 | 5IU | 0.9080 |
36 | IRP | 0.9079 |
37 | M2T | 0.9077 |
38 | A3N | 0.9056 |
39 | TMP | 0.9041 |
40 | A8M | 0.9036 |
41 | UFP | 0.9029 |
42 | C8M | 0.9026 |
43 | N8M | 0.9001 |
44 | 5CM | 0.8988 |
45 | MTA | 0.8988 |
46 | KB7 | 0.8975 |
47 | 16B | 0.8964 |
48 | 6RE | 0.8928 |
49 | J7C | 0.8928 |
50 | NMN | 0.8911 |
51 | ZAS | 0.8910 |
52 | PRX | 0.8894 |
53 | UMP | 0.8889 |
54 | GDP | 0.8842 |
55 | MCF | 0.8804 |
56 | NCN | 0.8799 |
57 | PFU | 0.8793 |
58 | CH | 0.8751 |
59 | FN5 | 0.8748 |
60 | T3S | 0.8669 |
61 | DU | 0.8663 |
62 | CA0 | 0.8657 |
63 | KG4 | 0.8657 |
64 | DCM | 0.8646 |
65 | ADX | 0.8628 |
66 | DUS | 0.8601 |
This union binding pocket(no: 1) in the query (biounit: 5gg9.bio1) has 7 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5gg9.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |