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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 | 2QIV | - | U21 | C27 H45 N3 O19 P2 | CCCCCCC[C@.... |
2 | 6P9R | ic50 = 3 uM | O5M | C21 H21 F N4 O2 | Cc1ccnc(c1.... |
3 | 6P9S | ic50 = 11 uM | O5G | C22 H24 N4 O3 | Cc1ccnc(c1.... |
4 | 6P9P | Kd = 0.1 uM | O5J | C24 H20 N2 O4 | COc1ccc(cc.... |
5 | 4J09 | - | THR ASN LEU TYR MET LEU | n/a | n/a |
6 | 6P9T | ic50 = 0.6 uM | O5D | C22 H24 Cl N5 O3 | Cc1cc(ncc1.... |
7 | 2QIA | - | U20 | C31 H53 N3 O19 P2 | CCCCCCCCCC.... |
8 | 6P9Q | Kd = 110 uM | O5P | C21 H22 N4 O2 | Cc1ccnc(c1.... |
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 | U20 | 1 | 1 |
2 | U21 | 1 | 1 |
3 | U22 | 0.734375 | 0.975 |
4 | EPU | 0.704918 | 0.85 |
5 | EPZ | 0.682927 | 0.884615 |
6 | EEB | 0.664 | 0.897436 |
7 | UD1 | 0.655462 | 0.871795 |
8 | UD2 | 0.655462 | 0.871795 |
9 | UMA | 0.62406 | 0.884615 |
10 | HP7 | 0.592 | 0.858974 |
11 | UD7 | 0.592 | 0.871795 |
12 | UAG | 0.589041 | 0.8875 |
13 | MJZ | 0.587302 | 0.8375 |
14 | F5G | 0.570312 | 0.871795 |
15 | UD4 | 0.570312 | 0.860759 |
16 | F5P | 0.570312 | 0.860759 |
17 | UFM | 0.567797 | 0.858974 |
18 | UPG | 0.567797 | 0.858974 |
19 | GDU | 0.567797 | 0.858974 |
20 | UDZ | 0.564885 | 0.788235 |
21 | UML | 0.564103 | 0.902439 |
22 | U2F | 0.540984 | 0.817073 |
23 | UPF | 0.540984 | 0.817073 |
24 | AWU | 0.53719 | 0.858974 |
25 | UFG | 0.528455 | 0.817073 |
26 | UDM | 0.523438 | 0.884615 |
27 | HWU | 0.522727 | 0.82716 |
28 | 12V | 0.522727 | 0.82716 |
29 | UGA | 0.52 | 0.846154 |
30 | UGB | 0.52 | 0.846154 |
31 | UD0 | 0.512987 | 0.781609 |
32 | USQ | 0.507937 | 0.761364 |
33 | UAD | 0.504 | 0.858974 |
34 | UDX | 0.504 | 0.858974 |
35 | UGF | 0.503937 | 0.804878 |
36 | 4RA | 0.5 | 0.790698 |
37 | LP5 | 0.495935 | 0.775 |
38 | UTP | 0.487179 | 0.810127 |
39 | UDP | 0.486957 | 0.810127 |
40 | U5F | 0.483051 | 0.810127 |
41 | G3N | 0.48062 | 0.8375 |
42 | URM | 0.48 | 0.871795 |
43 | 660 | 0.48 | 0.871795 |
44 | UDH | 0.472 | 0.864198 |
45 | IUG | 0.471014 | 0.733333 |
46 | UPU | 0.467213 | 0.833333 |
47 | 3UC | 0.465649 | 0.817073 |
48 | UNP | 0.46281 | 0.790123 |
49 | UPP | 0.460317 | 0.8125 |
50 | UAG API | 0.450292 | 0.878049 |
51 | UMA FGA LYS DAL DAL | 0.435754 | 0.869048 |
52 | UDP GAL | 0.435115 | 0.835443 |
53 | U | 0.434783 | 0.797468 |
54 | U5P | 0.434783 | 0.797468 |
55 | C5G | 0.431818 | 0.817073 |
56 | 2QR | 0.426752 | 0.825581 |
57 | 2KH | 0.422764 | 0.790123 |
58 | LP5 LP4 | 0.42069 | 0.8 |
59 | Y6W | 0.419847 | 0.910256 |
60 | 44P | 0.411765 | 0.825 |
61 | PMP UD1 | 0.404908 | 0.813953 |
62 | UDP UDP | 0.401639 | 0.78481 |
No: | Ligand | Similarity coefficient |
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No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 1) in the query (biounit: 6p9p.bio1) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6p9p.bio1) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 6p9p.bio1) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |