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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 3 families. | |||||
1 | 2PB1 | - | NFG | C12 H13 F N2 O9 | c1cc(c(cc1.... |
2 | 4M82 | - | NGB | C18 H25 N O13 | c1cc(ccc1[.... |
3 | 2PC8 | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
4 | 3N9K | - | BGC BGC BGC | n/a | n/a |
5 | 4M81 | - | PNW | C12 H15 N O8 | c1cc(ccc1[.... |
6 | 1EQC | - | CTS | C8 H15 N O4 | C1C[N@]2C[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 2PB1 | - | NFG | C12 H13 F N2 O9 | c1cc(c(cc1.... |
2 | 4M82 | - | NGB | C18 H25 N O13 | c1cc(ccc1[.... |
3 | 2PC8 | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
4 | 3N9K | - | BGC BGC BGC | n/a | n/a |
5 | 4M81 | - | PNW | C12 H15 N O8 | c1cc(ccc1[.... |
6 | 1EQC | - | CTS | C8 H15 N O4 | C1C[N@]2C[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NGB | 1 | 1 |
2 | GLA NPO | 0.754098 | 0.962264 |
3 | PNW | 0.754098 | 0.962264 |
4 | NBZ GLA | 0.754098 | 0.962264 |
5 | MBE | 0.754098 | 0.962264 |
6 | 147 | 0.754098 | 0.962264 |
7 | PNA | 0.754098 | 0.962264 |
8 | PNG | 0.754098 | 0.962264 |
9 | KHP | 0.677419 | 0.890909 |
10 | NPJ | 0.6 | 1 |
11 | RCB | 0.584416 | 1 |
12 | NSQ | 0.577465 | 0.710145 |
13 | PNJ | 0.527778 | 0.87931 |
14 | MMA MAN | 0.522388 | 0.6 |
15 | GAA | 0.520548 | 0.944444 |
16 | 3XN | 0.5 | 0.8125 |
17 | JFZ | 0.5 | 0.814815 |
18 | LEC | 0.493671 | 0.809524 |
19 | 6ZC | 0.493671 | 0.809524 |
20 | BGC GLC GLC GLC GLC GLC | 0.492754 | 0.622642 |
21 | BGC GLC GLC GLC GLC | 0.492754 | 0.622642 |
22 | A2G NPO GAL | 0.488372 | 0.84127 |
23 | XTG | 0.488095 | 0.896552 |
24 | GAT | 0.485294 | 0.690909 |
25 | GAL PHB | 0.478873 | 0.611111 |
26 | C3G | 0.472973 | 0.8 |
27 | 56N | 0.470588 | 0.622642 |
28 | 3X8 | 0.445946 | 0.6 |
29 | LAM | 0.442105 | 0.946429 |
30 | LEC NGA | 0.43956 | 0.828125 |
31 | HNW | 0.434211 | 0.618182 |
32 | BGC GLC GLC | 0.43038 | 0.622642 |
33 | 6Y2 | 0.423913 | 0.828125 |
34 | 145 | 0.423077 | 0.927273 |
35 | GLC GLC GLC | 0.414634 | 0.6 |
36 | MMA MAN MAN | 0.4125 | 0.6 |
37 | BGC GLC GLC GLC | 0.409639 | 0.622642 |
38 | GLC GLC GLC GLC GLC | 0.409639 | 0.622642 |
39 | GLA BEZ | 0.405063 | 0.62963 |
40 | BMA MAN MAN | 0.405063 | 0.622642 |
41 | 6LW AHR | 0.402778 | 0.619048 |
42 | BGC BGC BGC BGC | 0.4 | 0.622642 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4m82.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |