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- Structure Biounit | Ligand Information
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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 1XKD | - | ICT | C6 H8 O7 | C([C@@H]([.... |
2 | 1TYO | - | ENP | C17 H24 N5 O17 P3 | c1cn2cnc3c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 1PB1 | - | ICT | C6 H8 O7 | C([C@@H]([.... |
2 | 5ICD | - | ICT | C6 H8 O7 | C([C@@H]([.... |
3 | 1P8F | - | ICT | C6 H8 O7 | C([C@@H]([.... |
4 | 4AJB | - | TAP | C21 H28 N7 O16 P3 S | c1cc(c[n+].... |
5 | 1CW4 | - | AKG | C5 H6 O5 | C(CC(=O)O).... |
6 | 4AJC | - | AKG | C5 H6 O5 | C(CC(=O)O).... |
7 | 4AJS | - | ICT | C6 H8 O7 | C([C@@H]([.... |
8 | 1BL5 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
9 | 1GRP | Ki = 0.189 mM | ICT | C6 H8 O7 | C([C@@H]([.... |
10 | 9ICD | Kd = 125 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
11 | 4AJ3 | - | ICT | C6 H8 O7 | C([C@@H]([.... |
12 | 4AJA | - | ICT | C6 H8 O7 | C([C@@H]([.... |
13 | 1AI3 | Ki = 403 uM | NDO | C21 H27 N6 O18 P3 | c1cc(c[n+].... |
14 | 1ISO | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
15 | 4BNP | Ki = 96 uM | ICT | C6 H8 O7 | C([C@@H]([.... |
16 | 1CW1 | - | ICT | C6 H8 O7 | C([C@@H]([.... |
17 | 1GRO | Ki = 0.033 uM | ICT | C6 H8 O7 | C([C@@H]([.... |
18 | 1IDE | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
19 | 1HJ6 | - | IPM | C7 H12 O5 | CC(C)[C@@H.... |
20 | 1AI2 | Ki = 2.7 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
21 | 8ICD | - | ICT | C6 H8 O7 | C([C@@H]([.... |
22 | 1HQS | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
23 | 2D4V | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
24 | 1XKD | - | ICT | C6 H8 O7 | C([C@@H]([.... |
25 | 1TYO | - | ENP | C17 H24 N5 O17 P3 | c1cn2cnc3c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ENP | 1 | 1 |
2 | A2R | 0.670213 | 0.932432 |
3 | A22 | 0.54902 | 0.906667 |
4 | NA7 | 0.542857 | 0.883117 |
5 | ATR | 0.540816 | 0.891892 |
6 | APX | 0.527778 | 0.884615 |
7 | A2P | 0.494845 | 0.878378 |
8 | AR6 | 0.470588 | 0.918919 |
9 | APR | 0.470588 | 0.918919 |
10 | XNP | 0.464 | 0.807229 |
11 | NPW | 0.463415 | 0.819277 |
12 | NZQ | 0.459677 | 0.839506 |
13 | NDP | 0.451613 | 0.85 |
14 | TXP | 0.448 | 0.85 |
15 | 25L | 0.447368 | 0.906667 |
16 | ODP | 0.444444 | 0.886076 |
17 | NJP | 0.444444 | 0.871795 |
18 | 25A | 0.432432 | 0.893333 |
19 | 2AM | 0.42268 | 0.866667 |
20 | DG1 | 0.422222 | 0.85 |
21 | 1DG | 0.422222 | 0.85 |
22 | R7I | 0.422018 | 0.945946 |
23 | R5I | 0.422018 | 0.945946 |
24 | A2D | 0.401961 | 0.893333 |
25 | G1R | 0.401786 | 0.934211 |
26 | TAP | 0.40146 | 0.8375 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 2) in the query (biounit: 1xkd.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1xkd.bio1) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |