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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 3I3X | - | U22 | C29 H50 N4 O18 P2 | CCCCCCCCC[.... |
2 | 3I3A | - | S2N | C24 H47 N2 O9 P S | CCCCCCCCC[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 3I3X | - | U22 | C29 H50 N4 O18 P2 | CCCCCCCCC[.... |
2 | 3I3A | - | S2N | C24 H47 N2 O9 P S | CCCCCCCCC[.... |
3 | 2QIV | - | U21 | C27 H45 N3 O19 P2 | CCCCCCC[C@.... |
4 | 6P9R | ic50 = 3 uM | O5M | C21 H21 F N4 O2 | Cc1ccnc(c1.... |
5 | 6P9S | ic50 = 11 uM | O5G | C22 H24 N4 O3 | Cc1ccnc(c1.... |
6 | 6P9P | Kd = 0.1 uM | O5J | C24 H20 N2 O4 | COc1ccc(cc.... |
7 | 4J09 | - | THR ASN LEU TYR MET LEU | n/a | n/a |
8 | 6P9T | ic50 = 0.6 uM | O5D | C22 H24 Cl N5 O3 | Cc1cc(ncc1.... |
9 | 2QIA | - | U20 | C31 H53 N3 O19 P2 | CCCCCCCCCC.... |
10 | 6P9Q | Kd = 110 uM | O5P | C21 H22 N4 O2 | Cc1ccnc(c1.... |
11 | 4R37 | - | UD1 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
12 | 1J2Z | - | SOG | C14 H28 O5 S | CCCCCCCCS[.... |
13 | 6UEE | - | Q5M | C14 H12 O3 | c1ccc2c(c1.... |
14 | 6UEG | Kd = 19.5 uM | Q5G | C14 H16 N2 O5 S | c1ccc2c(c1.... |
15 | 5DG3 | - | U21 | C27 H45 N3 O19 P2 | CCCCCCC[C@.... |
16 | 5DEP | - | UD1 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | U22 | 1 | 1 |
2 | U20 | 0.734375 | 0.975 |
3 | U21 | 0.734375 | 0.975 |
4 | UD1 | 0.655462 | 0.85 |
5 | UD2 | 0.655462 | 0.85 |
6 | EPZ | 0.617188 | 0.8625 |
7 | EEB | 0.612403 | 0.875 |
8 | EPU | 0.6 | 0.829268 |
9 | HP7 | 0.592 | 0.8375 |
10 | MJZ | 0.587302 | 0.839506 |
11 | UD7 | 0.579365 | 0.85 |
12 | UMA | 0.576642 | 0.8625 |
13 | F5P | 0.570312 | 0.839506 |
14 | F5G | 0.570312 | 0.85 |
15 | UD4 | 0.570312 | 0.839506 |
16 | GDU | 0.567797 | 0.8375 |
17 | UFM | 0.567797 | 0.8375 |
18 | UPG | 0.567797 | 0.8375 |
19 | UDZ | 0.564885 | 0.790698 |
20 | UPF | 0.540984 | 0.797619 |
21 | U2F | 0.540984 | 0.797619 |
22 | UAG | 0.536424 | 0.9125 |
23 | UML | 0.534591 | 0.926829 |
24 | HWU | 0.534351 | 0.807229 |
25 | 12V | 0.534351 | 0.807229 |
26 | UGB | 0.532258 | 0.825 |
27 | UGA | 0.532258 | 0.825 |
28 | UFG | 0.528455 | 0.797619 |
29 | AWU | 0.52459 | 0.8375 |
30 | UDM | 0.523438 | 0.8625 |
31 | UGF | 0.515873 | 0.785714 |
32 | USQ | 0.507937 | 0.744444 |
33 | UAD | 0.504 | 0.8375 |
34 | UDX | 0.504 | 0.8375 |
35 | G3N | 0.492188 | 0.839506 |
36 | URM | 0.491935 | 0.85 |
37 | 660 | 0.491935 | 0.85 |
38 | UTP | 0.487179 | 0.790123 |
39 | UDP | 0.486957 | 0.790123 |
40 | UD0 | 0.484076 | 0.784091 |
41 | U5F | 0.483051 | 0.790123 |
42 | IUG | 0.481752 | 0.717391 |
43 | UNP | 0.475 | 0.771084 |
44 | UDH | 0.472 | 0.865854 |
45 | 4RA | 0.471338 | 0.772727 |
46 | UPU | 0.467213 | 0.8125 |
47 | 3UC | 0.465649 | 0.797619 |
48 | UPP | 0.460317 | 0.792683 |
49 | UDP GAL | 0.446154 | 0.814815 |
50 | UAG API | 0.44186 | 0.902439 |
51 | U5P | 0.434783 | 0.777778 |
52 | U | 0.434783 | 0.777778 |
53 | C5G | 0.431818 | 0.797619 |
54 | 2KH | 0.422764 | 0.771084 |
55 | Y6W | 0.419847 | 0.8875 |
56 | LP5 | 0.415385 | 0.777778 |
57 | UMA FGA LYS DAL DAL | 0.412088 | 0.892857 |
58 | 44P | 0.411765 | 0.804878 |
59 | 2QR | 0.408805 | 0.827586 |
60 | UDP UDP | 0.401639 | 0.765432 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 3i3x.bio3) has 39 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3i3x.bio3) has 39 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 3i3x.bio3) has 39 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 3i3x.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 3i3x.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 3i3x.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 3i3x.bio2) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 3i3x.bio2) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 9) in the query (biounit: 3i3x.bio2) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |