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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 | 4OWN | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
2 | 4X5C | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
3 | 4X58 | - | MLT | C4 H6 O5 | C([C@H](C(.... |
4 | 4OWV | Ki = 45 uM | BE2 | C7 H7 N O2 | c1ccc(c(c1.... |
5 | 4X5D | - | BE2 | C7 H7 N O2 | c1ccc(c(c1.... |
6 | 4N8Q | Ki = 380 uM | FA0 | C7 H6 F N O2 | c1cc(c(cc1.... |
7 | 4OWS | - | 4M0 | C8 H9 N O2 | Cc1ccc(c(c.... |
8 | 4X59 | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
9 | 4N5V | - | FA0 | C7 H6 F N O2 | c1cc(c(cc1.... |
10 | 4GIU | Ki = 4.7 uM | 636 | C16 H15 N O4 | Cc1ccc(c(c.... |
11 | 4OWM | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
12 | 4OWU | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
13 | 4OWO | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
14 | 4X5E | Ki = 89 uM | BE2 | C7 H7 N O2 | c1ccc(c(c1.... |
15 | 4IJ1 | Ki = 4 uM | 17C | C14 H11 N O4 | c1ccc(c(c1.... |
16 | 4N93 | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
17 | 4OWQ | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
18 | 4X5B | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
19 | 4M0R | Ki = 6.2 uM | 644 | C21 H16 N2 O6 | c1ccc(c(c1.... |
20 | 4GKM | Ki = 6.8 uM | 683 | C15 H13 N O4 | Cc1ccc(c(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 4OWN | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
2 | 4X5C | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
3 | 4X58 | - | MLT | C4 H6 O5 | C([C@H](C(.... |
4 | 4OWV | Ki = 45 uM | BE2 | C7 H7 N O2 | c1ccc(c(c1.... |
5 | 4X5D | - | BE2 | C7 H7 N O2 | c1ccc(c(c1.... |
6 | 4N8Q | Ki = 380 uM | FA0 | C7 H6 F N O2 | c1cc(c(cc1.... |
7 | 4OWS | - | 4M0 | C8 H9 N O2 | Cc1ccc(c(c.... |
8 | 4X59 | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
9 | 4N5V | - | FA0 | C7 H6 F N O2 | c1cc(c(cc1.... |
10 | 4GIU | Ki = 4.7 uM | 636 | C16 H15 N O4 | Cc1ccc(c(c.... |
11 | 4OWM | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
12 | 4OWU | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
13 | 4OWO | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
14 | 4X5E | Ki = 89 uM | BE2 | C7 H7 N O2 | c1ccc(c(c1.... |
15 | 4IJ1 | Ki = 4 uM | 17C | C14 H11 N O4 | c1ccc(c(c1.... |
16 | 4N93 | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
17 | 4OWQ | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
18 | 4X5B | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
19 | 4M0R | Ki = 6.2 uM | 644 | C21 H16 N2 O6 | c1ccc(c(c1.... |
20 | 4GKM | Ki = 6.8 uM | 683 | C15 H13 N O4 | Cc1ccc(c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PRP | 1 | 1 |
2 | RI2 | 0.695652 | 0.975 |
3 | PPC | 0.615385 | 0.930233 |
4 | G16 | 0.588235 | 0.883721 |
5 | A6P | 0.5 | 0.880952 |
6 | M6D | 0.5 | 0.880952 |
7 | BG6 | 0.5 | 0.880952 |
8 | BGP | 0.5 | 0.880952 |
9 | HSX | 0.5 | 0.975 |
10 | M6P | 0.5 | 0.880952 |
11 | G6P | 0.5 | 0.880952 |
12 | AHG | 0.5 | 0.904762 |
13 | RP5 | 0.5 | 0.975 |
14 | ABF | 0.5 | 0.975 |
15 | GRF | 0.45098 | 0.745098 |
16 | FDQ | 0.425926 | 0.883721 |
17 | RF5 | 0.415094 | 0.863636 |
18 | 50A | 0.415094 | 0.863636 |
19 | R1P | 0.411765 | 0.951219 |
20 | GLP | 0.410714 | 0.74 |
21 | 4R1 | 0.410714 | 0.74 |
This union binding pocket(no: 1) in the query (biounit: 4m0r.bio1) has 45 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4m0r.bio1) has 44 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |