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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 1 families. | |||||
1 | 1R7X | - | AIG FUC | n/a | n/a |
2 | 1WT1 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
3 | 2RJ6 | - | BHE | C20 H38 O10 | CCCCCCCCO[.... |
4 | 1ZI4 | - | NAG GAL FUC | n/a | n/a |
5 | 1LZJ | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
6 | 3SX8 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
7 | 1R7Y | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
8 | 1R7T | - | DLG FUC | n/a | n/a |
9 | 2RJ0 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
10 | 1ZI5 | - | NAG GAL FUC | n/a | n/a |
11 | 5C3D | - | URM | C16 H26 N2 O16 P2 | C1=CN(C(=O.... |
12 | 3SX3 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
13 | 1R82 | - | GDU | C15 H24 N2 O17 P2 | C1=CN(C(=O.... |
14 | 4FRO | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
15 | 4FRM | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
16 | 5C4B | - | UPG | C15 H24 N2 O17 P2 | C1=CN(C(=O.... |
17 | 1ZJ0 | - | GLC GAL | n/a | n/a |
18 | 5C38 | - | URM | C16 H26 N2 O16 P2 | C1=CN(C(=O.... |
19 | 5C47 | - | DA8 | C20 H38 O9 | CCCCCCCCO[.... |
20 | 5C48 | - | URM | C16 H26 N2 O16 P2 | C1=CN(C(=O.... |
21 | 4FRL | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
22 | 3SXB | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
23 | 1ZJO | - | DR4 | C16 H30 O8 | COC(=O)CCC.... |
24 | 2RJ5 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
25 | 2O1H | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
26 | 1R7V | - | AIG FUC | n/a | n/a |
27 | 5C1H | - | DA8 | C20 H38 O9 | CCCCCCCCO[.... |
28 | 4FQW | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
29 | 3IOJ | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
30 | 1ZJ1 | - | NDG GAL | n/a | n/a |
31 | 5C3B | - | URM | C16 H26 N2 O16 P2 | C1=CN(C(=O.... |
32 | 3V0L | Ki = 3 uM | 2GW | C21 H28 N2 O17 P2 | c1ccc(cc1).... |
33 | 2A8W | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
34 | 2RJ7 | - | GDU | C15 H24 N2 O17 P2 | C1=CN(C(=O.... |
35 | 3SXD | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
36 | 2A8U | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
37 | 5C4F | - | UPG | C15 H24 N2 O17 P2 | C1=CN(C(=O.... |
38 | 4FRA | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
39 | 5C1G | - | GDU | C15 H24 N2 O17 P2 | C1=CN(C(=O.... |
40 | 3V0P | - | BHE | C20 H38 O10 | CCCCCCCCO[.... |
41 | 5C4C | - | DA8 | C20 H38 O9 | CCCCCCCCO[.... |
42 | 4FRD | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
43 | 1ZIZ | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
44 | 3I0F | - | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
45 | 4FRE | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
46 | 3SXA | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
47 | 1ZJP | - | DR4 | C16 H30 O8 | COC(=O)CCC.... |
48 | 5C49 | - | 4YA | C18 H34 O10 | CCCCCCO[C@.... |
49 | 5C3A | - | URM | C16 H26 N2 O16 P2 | C1=CN(C(=O.... |
50 | 5C4E | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
51 | 3ZGG | - | IUG | C22 H30 N3 O19 P2 | c1ccc(c(c1.... |
52 | 3I0I | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
53 | 1WT2 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
54 | 4GBP | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
55 | 3V0Q | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
56 | 3I0G | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
57 | 1ZI3 | - | NDG GAL | n/a | n/a |
58 | 1ZHJ | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
59 | 4FRQ | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
60 | 3I0L | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
61 | 5C4D | - | UPG | C15 H24 N2 O17 P2 | C1=CN(C(=O.... |
62 | 3ZGF | - | IUG | C22 H30 N3 O19 P2 | c1ccc(c(c1.... |
63 | 5C8R | - | UPG | C15 H24 N2 O17 P2 | C1=CN(C(=O.... |
64 | 3IOI | Ki = 0.53 uM | 1GW | C20 H26 N2 O18 P2 S | c1cc(sc1C=.... |
65 | 3SXG | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
66 | 3I0J | - | BHG FUC | n/a | n/a |
67 | 3SX5 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
68 | 3SXC | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
69 | 3V0M | - | 5GW | C15 H18 N2 O12 P2 | c1ccc(cc1).... |
70 | 4FRP | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
71 | 4FRB | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
72 | 3I0D | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
73 | 5TJN | - | HSH GLA FUC | n/a | n/a |
74 | 1R80 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
75 | 2RJ9 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
76 | 3I0K | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
77 | 2RJ1 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
78 | 4FRH | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
79 | 2RJ4 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
80 | 3I0E | - | BHG FUC | n/a | n/a |
81 | 5C1L | - | GDU | C15 H24 N2 O17 P2 | C1=CN(C(=O.... |
82 | 2RJ8 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
83 | 1R7U | - | DLG FUC | n/a | n/a |
84 | 2RIX | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
85 | 5TJO | - | HSH GLA FUC | n/a | n/a |
86 | 1ZJ3 | - | NAG GAL FUC | n/a | n/a |
87 | 5BXC | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
88 | 5TJL | - | HSH A2G FUC | n/a | n/a |
89 | 1LZI | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
90 | 2RIY | - | BHE | C20 H38 O10 | CCCCCCCCO[.... |
91 | 3SXE | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
92 | 3SX7 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
93 | 5C36 | - | DA8 | C20 H38 O9 | CCCCCCCCO[.... |
94 | 5TJK | - | HSH A2G FUC | n/a | n/a |
95 | 1ZJ2 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
96 | 1WT3 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
97 | 1R81 | - | UD2 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 2JCK | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
2 | 1GWV | Kd = 0.053 mM | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
3 | 1O7Q | Kd = 0.032 mM | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
4 | 2VS4 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
5 | 1GX4 | Kd = 0.053 mM | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
6 | 5NRE | - | BGC GAL | n/a | n/a |
7 | 5NRB | - | BGC GAL | n/a | n/a |
8 | 2VFZ | Ki = 245 uM | UPF | C15 H23 F N2 O16 P2 | C1=CN(C(=O.... |
9 | 1GX0 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
10 | 1O7O | Kd = 0.032 mM | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
11 | 5NRD | - | BGC GAL | n/a | n/a |
12 | 1VZU | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
13 | 2VS5 | - | GDU | C15 H24 N2 O17 P2 | C1=CN(C(=O.... |
14 | 2WGZ | - | GAL NPO | n/a | n/a |
15 | 2JCJ | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
16 | 1VZT | Kd ~ 0.032 mM | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
17 | 2VS3 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
18 | 1VZX | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
19 | 1G93 | - | UPG | C15 H24 N2 O17 P2 | C1=CN(C(=O.... |
20 | 1K4V | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
21 | 1G8O | - | U5P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
22 | 1GWW | Kd = 0.258 mM | UDP GLC | n/a | n/a |
23 | 1R7X | - | AIG FUC | n/a | n/a |
24 | 1WT1 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
25 | 2RJ6 | - | BHE | C20 H38 O10 | CCCCCCCCO[.... |
26 | 1ZI4 | - | NAG GAL FUC | n/a | n/a |
27 | 1LZJ | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
28 | 3SX8 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
29 | 1R7Y | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
30 | 1R7T | - | DLG FUC | n/a | n/a |
31 | 2RJ0 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
32 | 1ZI5 | - | NAG GAL FUC | n/a | n/a |
33 | 5C3D | - | URM | C16 H26 N2 O16 P2 | C1=CN(C(=O.... |
34 | 3SX3 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
35 | 1R82 | - | GDU | C15 H24 N2 O17 P2 | C1=CN(C(=O.... |
36 | 4FRO | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
37 | 4FRM | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
38 | 5C4B | - | UPG | C15 H24 N2 O17 P2 | C1=CN(C(=O.... |
39 | 1ZJ0 | - | GLC GAL | n/a | n/a |
40 | 5C38 | - | URM | C16 H26 N2 O16 P2 | C1=CN(C(=O.... |
41 | 5C47 | - | DA8 | C20 H38 O9 | CCCCCCCCO[.... |
42 | 5C48 | - | URM | C16 H26 N2 O16 P2 | C1=CN(C(=O.... |
43 | 4FRL | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
44 | 3SXB | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
45 | 1ZJO | - | DR4 | C16 H30 O8 | COC(=O)CCC.... |
46 | 2RJ5 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
47 | 2O1H | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
48 | 1R7V | - | AIG FUC | n/a | n/a |
49 | 5C1H | - | DA8 | C20 H38 O9 | CCCCCCCCO[.... |
50 | 4FQW | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
51 | 3IOJ | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
52 | 1ZJ1 | - | NDG GAL | n/a | n/a |
53 | 5C3B | - | URM | C16 H26 N2 O16 P2 | C1=CN(C(=O.... |
54 | 3V0L | Ki = 3 uM | 2GW | C21 H28 N2 O17 P2 | c1ccc(cc1).... |
55 | 2A8W | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
56 | 2RJ7 | - | GDU | C15 H24 N2 O17 P2 | C1=CN(C(=O.... |
57 | 3SXD | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
58 | 2A8U | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
59 | 5C4F | - | UPG | C15 H24 N2 O17 P2 | C1=CN(C(=O.... |
60 | 4FRA | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
61 | 5C1G | - | GDU | C15 H24 N2 O17 P2 | C1=CN(C(=O.... |
62 | 3V0P | - | BHE | C20 H38 O10 | CCCCCCCCO[.... |
63 | 5C4C | - | DA8 | C20 H38 O9 | CCCCCCCCO[.... |
64 | 4FRD | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
65 | 1ZIZ | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
66 | 3I0F | - | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
67 | 4FRE | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
68 | 3SXA | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
69 | 1ZJP | - | DR4 | C16 H30 O8 | COC(=O)CCC.... |
70 | 5C49 | - | 4YA | C18 H34 O10 | CCCCCCO[C@.... |
71 | 5C3A | - | URM | C16 H26 N2 O16 P2 | C1=CN(C(=O.... |
72 | 5C4E | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
73 | 3ZGG | - | IUG | C22 H30 N3 O19 P2 | c1ccc(c(c1.... |
74 | 3I0I | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
75 | 1WT2 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
76 | 4GBP | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
77 | 3V0Q | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
78 | 3I0G | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
79 | 1ZI3 | - | NDG GAL | n/a | n/a |
80 | 1ZHJ | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
81 | 4FRQ | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
82 | 3I0L | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
83 | 5C4D | - | UPG | C15 H24 N2 O17 P2 | C1=CN(C(=O.... |
84 | 3ZGF | - | IUG | C22 H30 N3 O19 P2 | c1ccc(c(c1.... |
85 | 5C8R | - | UPG | C15 H24 N2 O17 P2 | C1=CN(C(=O.... |
86 | 3IOI | Ki = 0.53 uM | 1GW | C20 H26 N2 O18 P2 S | c1cc(sc1C=.... |
87 | 3SXG | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
88 | 3I0J | - | BHG FUC | n/a | n/a |
89 | 3SX5 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
90 | 3SXC | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
91 | 3V0M | - | 5GW | C15 H18 N2 O12 P2 | c1ccc(cc1).... |
92 | 4FRP | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
93 | 4FRB | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
94 | 3I0D | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
95 | 5TJN | - | HSH GLA FUC | n/a | n/a |
96 | 1R80 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
97 | 2RJ9 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
98 | 3I0K | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
99 | 2RJ1 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
100 | 4FRH | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
101 | 2RJ4 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
102 | 3I0E | - | BHG FUC | n/a | n/a |
103 | 5C1L | - | GDU | C15 H24 N2 O17 P2 | C1=CN(C(=O.... |
104 | 2RJ8 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
105 | 1R7U | - | DLG FUC | n/a | n/a |
106 | 2RIX | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
107 | 5TJO | - | HSH GLA FUC | n/a | n/a |
108 | 1ZJ3 | - | NAG GAL FUC | n/a | n/a |
109 | 5BXC | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
110 | 5TJL | - | HSH A2G FUC | n/a | n/a |
111 | 1LZI | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
112 | 2RIY | - | BHE | C20 H38 O10 | CCCCCCCCO[.... |
113 | 3SXE | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
114 | 3SX7 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
115 | 5C36 | - | DA8 | C20 H38 O9 | CCCCCCCCO[.... |
116 | 5TJK | - | HSH A2G FUC | n/a | n/a |
117 | 1ZJ2 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
118 | 1WT3 | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
119 | 1R81 | - | UD2 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GDU | 1 | 1 |
2 | UPG | 1 | 1 |
3 | UFM | 1 | 1 |
4 | USQ | 0.8 | 0.846154 |
5 | UFG | 0.797619 | 0.943662 |
6 | U2F | 0.797619 | 0.943662 |
7 | UPF | 0.797619 | 0.943662 |
8 | AWU | 0.77381 | 0.970588 |
9 | UD2 | 0.73913 | 0.985294 |
10 | UD1 | 0.73913 | 0.985294 |
11 | UGA | 0.738636 | 0.985075 |
12 | UGB | 0.738636 | 0.985075 |
13 | UDP | 0.717949 | 0.941176 |
14 | UDX | 0.715909 | 0.970588 |
15 | UDP GAL | 0.715909 | 0.970588 |
16 | UAD | 0.715909 | 0.970588 |
17 | UTP | 0.7125 | 0.941176 |
18 | U5F | 0.703704 | 0.941176 |
19 | IUG | 0.693878 | 0.835443 |
20 | UGF | 0.692308 | 0.929577 |
21 | G3N | 0.692308 | 0.942857 |
22 | C5G | 0.688889 | 0.943662 |
23 | URM | 0.681818 | 0.956522 |
24 | 660 | 0.681818 | 0.956522 |
25 | UPU | 0.670588 | 0.970149 |
26 | EPZ | 0.650485 | 0.971014 |
27 | 3UC | 0.648936 | 0.943662 |
28 | UNP | 0.647059 | 0.914286 |
29 | EEB | 0.644231 | 0.957143 |
30 | EPU | 0.644231 | 0.957143 |
31 | U5P | 0.641026 | 0.926471 |
32 | U | 0.641026 | 0.926471 |
33 | HP7 | 0.636364 | 0.970588 |
34 | UD7 | 0.636364 | 0.956522 |
35 | 2GW | 0.632653 | 0.957143 |
36 | MJZ | 0.63 | 0.942857 |
37 | F5P | 0.623762 | 0.942857 |
38 | F5G | 0.623762 | 0.956522 |
39 | UD4 | 0.623762 | 0.942857 |
40 | UPP | 0.615385 | 0.942029 |
41 | UDZ | 0.615385 | 0.88 |
42 | UDH | 0.615385 | 0.866667 |
43 | UMA | 0.598214 | 0.971014 |
44 | 44P | 0.597561 | 0.901408 |
45 | UDM | 0.59596 | 0.942857 |
46 | 12V | 0.592233 | 0.929577 |
47 | HWU | 0.592233 | 0.929577 |
48 | 1GW | 0.590476 | 0.917808 |
49 | 2KH | 0.586207 | 0.914286 |
50 | Y6W | 0.585106 | 0.916667 |
51 | UDP UDP | 0.576471 | 0.911765 |
52 | U22 | 0.567797 | 0.8375 |
53 | U21 | 0.567797 | 0.858974 |
54 | U20 | 0.567797 | 0.858974 |
55 | URI | 0.552632 | 0.865672 |
56 | CJB | 0.551282 | 0.850746 |
57 | UP5 | 0.527273 | 0.855263 |
58 | UAG | 0.523438 | 0.917808 |
59 | 2QR | 0.520325 | 0.848101 |
60 | DAU | 0.519608 | 0.891892 |
61 | UA3 | 0.511905 | 0.911765 |
62 | U3P | 0.511905 | 0.911765 |
63 | CSV | 0.504762 | 0.878378 |
64 | CSQ | 0.504762 | 0.878378 |
65 | 4TC | 0.504425 | 0.833333 |
66 | 4RA | 0.492308 | 0.857143 |
67 | UD0 | 0.484848 | 0.846154 |
68 | PUP | 0.480392 | 0.887324 |
69 | UML | 0.478571 | 0.858974 |
70 | U2P | 0.476744 | 0.926471 |
71 | CXY | 0.471154 | 0.916667 |
72 | GKE | 0.463636 | 0.8 |
73 | GDD | 0.463636 | 0.8 |
74 | GDC | 0.463636 | 0.8 |
75 | FZK | 0.454545 | 0.780488 |
76 | CTP | 0.447917 | 0.888889 |
77 | HF4 | 0.447917 | 0.888889 |
78 | CDP | 0.446809 | 0.888889 |
79 | ADQ | 0.443396 | 0.828947 |
80 | BUP | 0.443299 | 0.876712 |
81 | DKX | 0.44186 | 0.774648 |
82 | U2S | 0.43956 | 0.77027 |
83 | UMF | 0.438202 | 0.833333 |
84 | LSU | 0.436893 | 0.72093 |
85 | U4S | 0.433333 | 0.733333 |
86 | DUT | 0.43299 | 0.861111 |
87 | U3S | 0.423913 | 0.756757 |
88 | YSU | 0.422018 | 0.75 |
89 | 5GW | 0.421569 | 0.915493 |
90 | DUD | 0.421053 | 0.861111 |
91 | 5FU | 0.417582 | 0.863014 |
92 | C2G | 0.417476 | 0.902778 |
93 | UPA | 0.416667 | 0.868421 |
94 | 0RC | 0.415842 | 0.866667 |
95 | U1S | 0.415842 | 0.776316 |
96 | 7XL | 0.415842 | 0.890411 |
97 | 2TU | 0.411765 | 0.777778 |
98 | UTP U U U | 0.409524 | 0.897059 |
99 | 139 | 0.406504 | 0.835443 |
100 | APU | 0.401639 | 0.831169 |
101 | PMP UD1 | 0.40146 | 0.835443 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DA8 | 1 | 1 |
2 | BHG FUC | 0.936508 | 1 |
3 | BHE | 0.592105 | 0.954545 |
4 | AOG FUC | 0.576923 | 0.792453 |
5 | 4YA | 0.545455 | 0.954545 |
6 | AIG FUC | 0.531646 | 0.792453 |
7 | HSH GLA FUC | 0.52439 | 0.954545 |
8 | BNG | 0.458333 | 0.930233 |
9 | BOG | 0.458333 | 0.930233 |
10 | HSJ | 0.458333 | 0.930233 |
11 | HSH A2G FUC | 0.457447 | 0.75 |
12 | AFO | 0.457143 | 0.844444 |
13 | UMQ | 0.444444 | 0.931818 |
14 | LMU | 0.444444 | 0.931818 |
15 | LMT | 0.444444 | 0.931818 |
16 | KGM | 0.444444 | 0.930233 |
17 | DMU | 0.444444 | 0.931818 |
18 | B7G | 0.444444 | 0.930233 |
19 | AD7 | 0.436782 | 0.826923 |
20 | GAL FUC | 0.426667 | 0.790698 |
21 | JZR | 0.410959 | 0.906977 |
22 | BHG | 0.410959 | 0.906977 |
23 | HEX GLC | 0.410959 | 0.906977 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | DLG FUC | 0.9457 |
This union binding pocket(no: 1) in the query (biounit: 3ioi.bio1) has 40 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3ioi.bio1) has 40 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |