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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 1 families. | |||||
1 | 2OYL | Ki = 0.5 uM | IDC | C14 H22 N2 O9 | c1cn2c(n1).... |
2 | 2OSX | - | BGC 16C GAL SIA | n/a | n/a |
3 | 2OYM | Ki = 10 uM | MNI | C15 H23 N3 O4 | CN(C)c1ccc.... |
4 | 2OYK | Ki = 5 uM | 9MR | C12 H23 N O8 | C1[C@@H]([.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 2OYL | Ki = 0.5 uM | IDC | C14 H22 N2 O9 | c1cn2c(n1).... |
2 | 2OSX | - | BGC 16C GAL SIA | n/a | n/a |
3 | 2OYM | Ki = 10 uM | MNI | C15 H23 N3 O4 | CN(C)c1ccc.... |
4 | 2OYK | Ki = 5 uM | 9MR | C12 H23 N O8 | C1[C@@H]([.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 9MR | 1 | 1 |
2 | G3I | 0.836364 | 0.976744 |
3 | G2I | 0.836364 | 0.976744 |
4 | IFM BGC | 0.559322 | 0.954545 |
5 | ISX | 0.559322 | 0.97619 |
6 | BGC OXZ | 0.533333 | 0.854167 |
7 | BQZ | 0.509434 | 0.714286 |
8 | MAN MNM | 0.5 | 0.78 |
9 | 5QP | 0.491803 | 0.744186 |
10 | RR7 GLC | 0.483333 | 0.790698 |
11 | GAL GLA | 0.482759 | 0.744186 |
12 | NOY BGC | 0.47619 | 0.78 |
13 | RZM | 0.466667 | 0.847826 |
14 | MBG GLA | 0.465517 | 0.711111 |
15 | BGC GLA GAL | 0.465517 | 0.744186 |
16 | BGC OXZ BGC | 0.463768 | 0.836735 |
17 | GDQ GLC | 0.461538 | 0.78 |
18 | GLC DMJ | 0.453125 | 0.851064 |
19 | NOJ GLC | 0.453125 | 0.851064 |
20 | GLC IFM | 0.453125 | 0.931818 |
21 | FUC GAL | 0.451613 | 0.704545 |
22 | GLC 7LQ | 0.446154 | 0.704545 |
23 | ABL | 0.446154 | 0.78 |
24 | BGC BGC BGC BGC BGC | 0.444444 | 0.744186 |
25 | BGC BGC BGC | 0.444444 | 0.744186 |
26 | BGC BGC BGC BGC BGC BGC | 0.444444 | 0.744186 |
27 | BGC BGC BGC BGC BGC BGC BGC | 0.444444 | 0.744186 |
28 | GLC BGC BGC BGC | 0.444444 | 0.744186 |
29 | MBG GAL | 0.442623 | 0.711111 |
30 | MGL GAL | 0.442623 | 0.711111 |
31 | 7D1 MAN | 0.435484 | 0.75 |
32 | MAN BMA BMA | 0.432836 | 0.75 |
33 | GLC GLC GLC GLC BGC GLC GLC | 0.428571 | 0.744186 |
34 | MAN BMA BMA BMA BMA BMA BMA | 0.428571 | 0.744186 |
35 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.428571 | 0.744186 |
36 | MAN MAN | 0.42623 | 0.744186 |
37 | CJX | 0.424242 | 0.795918 |
38 | GCU BGC | 0.424242 | 0.688889 |
39 | MAN IPD MAN | 0.421875 | 0.615385 |
40 | FRU BMA | 0.421875 | 0.717391 |
41 | MAN G63 | 0.41791 | 0.8 |
42 | GLC EDO GLC | 0.415385 | 0.75 |
43 | MAN MAN BMA | 0.414286 | 0.75 |
44 | A2G GAL | 0.411765 | 0.74 |
45 | AHR FUB | 0.410714 | 0.644444 |
46 | BMA MAN MAN | 0.405797 | 0.744186 |
47 | BGC XGP | 0.402985 | 0.615385 |
48 | DGO MAN | 0.4 | 0.727273 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BGC BGC | 0.9638 |
2 | BMA BGC | 0.9583 |
3 | GCS GCS | 0.9571 |
4 | SHG BGC | 0.9555 |
5 | IFM BMA | 0.9551 |
6 | BMA IFM | 0.9551 |
7 | GLC GLC | 0.9514 |
8 | GLC BGC | 0.9504 |
9 | PA1 GCS | 0.9482 |
10 | SA0 | 0.9458 |
11 | GLC GAL | 0.9371 |
12 | BGC GAL | 0.9354 |
13 | BMA BMA | 0.9319 |
14 | SGC BGC | 0.9245 |
15 | BMA GAL | 0.9236 |
16 | BGC Z9D | 0.9209 |
17 | MAN BMA | 0.9201 |
18 | MGL SGC | 0.9178 |
19 | 636 | 0.9130 |
20 | BEM BEM | 0.9108 |
21 | 64I | 0.9021 |
22 | FRU GAL | 0.9009 |
23 | 6EN | 0.8995 |
24 | MHD GAL | 0.8984 |
25 | 6GR | 0.8982 |
26 | 683 | 0.8966 |
27 | GLO BGC | 0.8964 |
28 | CJZ | 0.8958 |
29 | 145 | 0.8951 |
30 | MAV BEM | 0.8949 |
31 | IDC | 0.8939 |
32 | 6J3 | 0.8904 |
33 | FHI | 0.8902 |
34 | BNY | 0.8876 |
35 | D2M | 0.8872 |
36 | 43S | 0.8868 |
37 | BRY | 0.8867 |
38 | XYP XYP | 0.8858 |
39 | ZT2 | 0.8853 |
40 | Q11 | 0.8842 |
41 | XIF XYP | 0.8833 |
42 | OFL | 0.8832 |
43 | TLF | 0.8827 |
44 | XIL | 0.8826 |
45 | XDL XYP | 0.8826 |
46 | 3WJ | 0.8826 |
47 | 17C | 0.8821 |
48 | ID8 | 0.8818 |
49 | U19 | 0.8806 |
50 | XYP XIF | 0.8804 |
51 | 1FL | 0.8790 |
52 | 38E | 0.8788 |
53 | A4G | 0.8774 |
54 | MYG | 0.8759 |
55 | IXM | 0.8759 |
56 | XYP AHR | 0.8757 |
57 | GAL NGT | 0.8750 |
58 | FLF | 0.8747 |
59 | BGC GLC | 0.8746 |
60 | 4GU | 0.8746 |
61 | BXZ | 0.8726 |
62 | BEM LGU | 0.8722 |
63 | XYP XDN | 0.8715 |
64 | K3Q 7CV | 0.8710 |
65 | EAJ | 0.8710 |
66 | MQS | 0.8698 |
67 | MVL BMA | 0.8695 |
68 | LI4 | 0.8691 |
69 | XYS XYS | 0.8688 |
70 | F01 | 0.8682 |
71 | 9FN | 0.8676 |
72 | 272 | 0.8674 |
73 | WVV | 0.8671 |
74 | THM | 0.8669 |
75 | GAT | 0.8656 |
76 | SGC GLC | 0.8651 |
77 | Z15 | 0.8645 |
78 | P2L | 0.8641 |
79 | SGV | 0.8640 |
80 | AOD | 0.8630 |
81 | NFL | 0.8625 |
82 | P2C | 0.8624 |
83 | Z16 | 0.8620 |
84 | 9CE | 0.8618 |
85 | XYS XYP | 0.8608 |
86 | NGT GAL | 0.8598 |
87 | Z57 | 0.8592 |
88 | GAL NOK | 0.8582 |
89 | NEO | 0.8572 |
90 | LGU MAW | 0.8571 |
91 | 2QU | 0.8559 |
92 | BMA MVL | 0.8546 |
93 | 4L2 | 0.8543 |
94 | TOP | 0.8516 |
This union binding pocket(no: 1) in the query (biounit: 2oyl.bio1) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2oyl.bio2) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |