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- Structure Biounit | Ligand Information
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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 426 families. | |||||
1 | 6LI7 | - | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
2 | 6KBJ | - | MLI | C3 H2 O4 | C(C(=O)[O-.... |
3 | 6KC2 | - | RAM | C6 H12 O5 | C[C@H]1[C@.... |
4 | 6T1D | Kd ~ 780 uM | GLC GLA | n/a | n/a |
5 | 6LIK | - | GLA | C6 H12 O6 | C([C@@H]1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 322 families. | |||||
1 | 6LI7 | - | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
2 | 6KBJ | - | MLI | C3 H2 O4 | C(C(=O)[O-.... |
3 | 6KC2 | - | RAM | C6 H12 O5 | C[C@H]1[C@.... |
4 | 6T1D | Kd ~ 780 uM | GLC GLA | n/a | n/a |
5 | 6LIK | - | GLA | C6 H12 O6 | C([C@@H]1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GLC GLA | 1.0000 |
2 | BGC GLA | 0.9860 |
3 | GLC GLC | 0.9620 |
4 | BMA GLA | 0.9615 |
5 | BGC GLC | 0.9547 |
6 | GLC BGC | 0.9522 |
7 | BGC BGC | 0.9339 |
8 | IFM MAN | 0.9315 |
9 | DMJ MAN | 0.9199 |
10 | BMA MAN | 0.9161 |
11 | MYG | 0.9160 |
12 | ZZ1 GAL | 0.9101 |
13 | MAN MAN | 0.9098 |
14 | Z9N GLC | 0.9087 |
15 | VDM | 0.9044 |
16 | BQZ | 0.9032 |
17 | BGC GAL | 0.9013 |
18 | MHD GAL | 0.8994 |
19 | GAL BGC | 0.8958 |
20 | ZZ1 GLA | 0.8957 |
21 | 7WD | 0.8936 |
22 | XMM | 0.8923 |
23 | MMA MAN | 0.8908 |
24 | TWJ SDY | 0.8903 |
25 | TOP | 0.8900 |
26 | GLA BEZ | 0.8892 |
27 | DMB | 0.8889 |
28 | 147 | 0.8880 |
29 | GLA GAL | 0.8880 |
30 | GLC IFM | 0.8874 |
31 | MCV | 0.8872 |
32 | NOJ BGC | 0.8852 |
33 | VXM | 0.8849 |
34 | GLC 7LQ | 0.8829 |
35 | GAL GLA | 0.8824 |
36 | NQK | 0.8814 |
37 | DZ1 | 0.8814 |
38 | NKH | 0.8806 |
39 | 7D1 MAN | 0.8793 |
40 | NBZ GLA | 0.8792 |
41 | FE DBH DBH | 0.8787 |
42 | TTZ | 0.8780 |
43 | MXA | 0.8780 |
44 | DSQ | 0.8776 |
45 | 9FN | 0.8765 |
46 | 38E | 0.8761 |
47 | NAB | 0.8755 |
48 | GLA NPO | 0.8754 |
49 | GLC DMJ | 0.8752 |
50 | NQE | 0.8746 |
51 | DGO MAN | 0.8741 |
52 | PNA | 0.8735 |
53 | MGI | 0.8729 |
54 | PNW | 0.8725 |
55 | QRP | 0.8714 |
56 | 1OX | 0.8700 |
57 | TQT | 0.8699 |
58 | VXP | 0.8682 |
59 | BK1 | 0.8675 |
60 | A0R | 0.8671 |
61 | XYP XIM | 0.8670 |
62 | 7W7 | 0.8667 |
63 | FL9 | 0.8666 |
64 | F9W | 0.8659 |
65 | 6UW | 0.8657 |
66 | DZ2 | 0.8647 |
67 | KTM | 0.8646 |
68 | OUG | 0.8644 |
69 | DS8 | 0.8643 |
70 | KTV | 0.8641 |
71 | RAM GAD | 0.8640 |
72 | YIO GAL | 0.8639 |
73 | C4F | 0.8636 |
74 | XYS XYS | 0.8635 |
75 | NXB | 0.8633 |
76 | SGC GLC | 0.8629 |
77 | LI4 | 0.8627 |
78 | GDQ GLC | 0.8624 |
79 | T5J | 0.8620 |
80 | IW6 | 0.8620 |
81 | 48I | 0.8593 |
82 | D09 | 0.8581 |
83 | VHD | 0.8567 |
84 | MA1 GLC | 0.8566 |
85 | AEY | 0.8558 |
86 | GAT | 0.8555 |
87 | ABL | 0.8546 |
88 | 4YE | 0.8540 |
89 | EGA GLA | 0.8537 |
90 | YX0 | 0.8507 |
This union binding pocket(no: 1) in the query (biounit: 6t1d.bio3) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6t1d.bio3) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3W5N | RAM | 27.809 |
This union binding pocket(no: 3) in the query (biounit: 6t1d.bio3) has 8 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 6t1d.bio3) has 7 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |