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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 5BRD | Ki = 32 uM | BG8 | C13 H17 N O6 | c1ccc(cc1).... |
2 | 5BRE | Ki = 0.71 uM | 4UZ | C14 H19 N O7 | c1ccc(cc1).... |
3 | 5BRH | Ki = 4.1 uM | 4V3 | C16 H19 N O9 S | c1ccc2c(c1.... |
4 | 2Q2R | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
5 | 5BRF | Ki = 1.3 uM | 4V5 | C15 H21 N O7 | c1cc(ccc1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 5BRD | Ki = 32 uM | BG8 | C13 H17 N O6 | c1ccc(cc1).... |
2 | 5BRE | Ki = 0.71 uM | 4UZ | C14 H19 N O7 | c1ccc(cc1).... |
3 | 5BRH | Ki = 4.1 uM | 4V3 | C16 H19 N O9 S | c1ccc2c(c1.... |
4 | 2Q2R | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
5 | 5BRF | Ki = 1.3 uM | 4V5 | C15 H21 N O7 | c1cc(ccc1C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | BG8 | 1 | 1 |
2 | OAK | 0.557377 | 0.953488 |
3 | 4UZ | 0.545455 | 0.891304 |
4 | NGA | 0.537037 | 0.906977 |
5 | HSQ | 0.537037 | 0.906977 |
6 | A2G | 0.537037 | 0.906977 |
7 | BM3 | 0.537037 | 0.906977 |
8 | NDG | 0.537037 | 0.906977 |
9 | NAG | 0.537037 | 0.906977 |
10 | NAG GAL UNU | 0.519481 | 0.857143 |
11 | SIZ | 0.491525 | 0.866667 |
12 | BGN | 0.47541 | 0.8125 |
13 | YX1 | 0.467742 | 0.629032 |
14 | 4V5 | 0.463768 | 0.913043 |
15 | BZD | 0.463768 | 0.82 |
16 | 9C1 | 0.460317 | 0.847826 |
17 | STZ | 0.460317 | 0.629032 |
18 | JNB | 0.416667 | 0.911111 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GJB | 0.9201 |
2 | 47X | 0.9129 |
3 | DX6 | 0.9030 |
4 | LJ1 | 0.9001 |
5 | XYP XYP | 0.8950 |
6 | GEN | 0.8918 |
7 | 8WB | 0.8912 |
8 | 6H2 | 0.8895 |
9 | D64 | 0.8895 |
10 | NPZ | 0.8893 |
11 | L2K | 0.8893 |
12 | G2V | 0.8891 |
13 | 5VU | 0.8884 |
14 | M08 | 0.8868 |
15 | IMK | 0.8866 |
16 | 1Q4 | 0.8865 |
17 | TH1 | 0.8855 |
18 | H0V | 0.8850 |
19 | MQR | 0.8836 |
20 | 68C | 0.8827 |
21 | LVY | 0.8822 |
22 | NAR | 0.8816 |
23 | DE7 | 0.8814 |
24 | 8GP | 0.8807 |
25 | 4K2 | 0.8800 |
26 | E92 | 0.8796 |
27 | OA4 | 0.8791 |
28 | E98 | 0.8788 |
29 | 3WN | 0.8784 |
30 | 3WO | 0.8784 |
31 | C5Q | 0.8782 |
32 | MQS | 0.8771 |
33 | 5S9 | 0.8771 |
34 | 6WR | 0.8767 |
35 | AP6 | 0.8763 |
36 | G50 | 0.8760 |
37 | B5A | 0.8758 |
38 | XYS XYS | 0.8752 |
39 | 4JV | 0.8752 |
40 | 6DQ | 0.8744 |
41 | 7G0 | 0.8742 |
42 | 789 | 0.8731 |
43 | 8M5 | 0.8730 |
44 | RGK | 0.8726 |
45 | 6BK | 0.8725 |
46 | 7FZ | 0.8721 |
47 | EMU | 0.8714 |
48 | XYP XYS | 0.8711 |
49 | 6EL | 0.8706 |
50 | AGI | 0.8700 |
51 | Y27 | 0.8696 |
52 | LU2 | 0.8692 |
53 | Y70 | 0.8689 |
54 | 26C | 0.8678 |
55 | EF2 | 0.8678 |
56 | EAT | 0.8672 |
57 | QEI | 0.8665 |
58 | 5CK | 0.8661 |
59 | XYS XYP | 0.8660 |
60 | 3WK | 0.8660 |
61 | 2M7 | 0.8660 |
62 | WCU | 0.8653 |
63 | C2M | 0.8648 |
64 | CBE | 0.8648 |
65 | CWE | 0.8640 |
66 | 0OK | 0.8625 |
67 | SCE | 0.8620 |
68 | LZJ | 0.8620 |
69 | EES | 0.8619 |
70 | IMH | 0.8615 |
71 | 4DE | 0.8615 |
72 | DFL | 0.8613 |
73 | 7GP | 0.8610 |
74 | P2L | 0.8609 |
75 | HTE | 0.8609 |
76 | 3WL | 0.8601 |
77 | TGW | 0.8599 |
78 | MQ1 | 0.8592 |
79 | HUL | 0.8590 |
80 | 16Z | 0.8585 |
81 | 42R | 0.8581 |
82 | 6WU | 0.8576 |
83 | 7EL | 0.8576 |
84 | EI1 | 0.8573 |
85 | 6GP | 0.8571 |
86 | 0ON | 0.8564 |
87 | XYP XDN | 0.8564 |
88 | 92O | 0.8557 |
89 | 1V3 | 0.8554 |
90 | AJ6 | 0.8550 |
91 | O9Z | 0.8548 |
92 | IGP | 0.8547 |
93 | BIE | 0.8540 |
94 | AX1 | 0.8538 |
95 | 68B | 0.8537 |
96 | BXS | 0.8532 |
97 | QRP | 0.8528 |
98 | ZAR | 0.8527 |
99 | 5NN | 0.8518 |
100 | CDJ | 0.8513 |
101 | QUE | 0.8508 |
This union binding pocket(no: 1) in the query (biounit: 5bre.bio1) has 34 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5bre.bio1) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |