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- Structure Biounit | Ligand Information
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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 214 families. | |||||
1 | 4KMZ | Kd = 2.7 nM | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
2 | 4KN0 | Kd = 40 nM | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
3 | 4KN1 | Kd = 144 nM | 04J | C19 H20 N8 O5 | c1cc(ccc1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 181 families. | |||||
1 | 4KMZ | Kd = 2.7 nM | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
2 | 4KN0 | Kd = 40 nM | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
3 | 4KN1 | Kd = 144 nM | 04J | C19 H20 N8 O5 | c1cc(ccc1C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 04J | 1 | 1 |
2 | COP | 0.663366 | 0.931035 |
3 | MTX | 0.663043 | 0.870968 |
4 | FOL | 0.545455 | 0.885246 |
5 | DVP | 0.53 | 0.716418 |
6 | 3BI | 0.527273 | 0.771429 |
7 | 2MX | 0.518519 | 0.833333 |
8 | PT1 | 0.505618 | 0.827586 |
9 | 29C | 0.495327 | 0.857143 |
10 | 29D | 0.495327 | 0.857143 |
11 | 28Z | 0.495327 | 0.857143 |
12 | DZF | 0.471154 | 0.868852 |
13 | MT1 | 0.448598 | 0.84375 |
14 | FGD | 0.446602 | 0.836066 |
15 | 8DM | 0.4375 | 0.636364 |
16 | THH | 0.431193 | 0.820895 |
17 | DHF | 0.424528 | 0.815385 |
18 | L37 | 0.424242 | 0.822581 |
19 | THF | 0.401786 | 0.712329 |
20 | 83A | 0.4 | 0.84375 |
No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 1) in the query (biounit: 4kmz.bio1) has 20 residues | |||
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No: | Leader PDB | Ligand | Sequence Similarity |