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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- 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 | 5N26 | - | CPT | Cl2 H6 N2 Pt | [NH3][Pt](.... |
2 | 3F39 | Kd = 16.5 mM | IPH | C6 H6 O | c1ccc(cc1).... |
3 | 1XZ1 | Ka ~ 100000 M^-1 | HLT | C2 H Br Cl F3 | [C@@H](C(F.... |
4 | 3F35 | Kd = 0.69 mM | DIE | C10 H14 O | CCc1cccc(c.... |
5 | 3F33 | Kd = 0.46 mM | PFL | C12 H18 O | CC(C)c1ccc.... |
6 | 3F38 | Kd = 2.4 mM | 2MY | C8 H10 O | Cc1cccc(c1.... |
7 | 3F37 | Kd = 2.4 mM | 2MY | C8 H10 O | Cc1cccc(c1.... |
8 | 3F34 | Kd = 0.69 mM | DIE | C10 H14 O | CCc1cccc(c.... |
9 | 3F36 | Kd = 1.3 mM | IP0 | C9 H12 O | CC(C)c1ccc.... |
10 | 1XZ3 | Ka ~ 100000 M^-1 | ICF | C3 H2 Cl F5 O | [C@H](C(F).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 322 families. | |||||
1 | 5N26 | - | CPT | Cl2 H6 N2 Pt | [NH3][Pt](.... |
2 | 3F39 | Kd = 16.5 mM | IPH | C6 H6 O | c1ccc(cc1).... |
3 | 1XZ1 | Ka ~ 100000 M^-1 | HLT | C2 H Br Cl F3 | [C@@H](C(F.... |
4 | 3F35 | Kd = 0.69 mM | DIE | C10 H14 O | CCc1cccc(c.... |
5 | 3F33 | Kd = 0.46 mM | PFL | C12 H18 O | CC(C)c1ccc.... |
6 | 3F38 | Kd = 2.4 mM | 2MY | C8 H10 O | Cc1cccc(c1.... |
7 | 3F37 | Kd = 2.4 mM | 2MY | C8 H10 O | Cc1cccc(c1.... |
8 | 3F34 | Kd = 0.69 mM | DIE | C10 H14 O | CCc1cccc(c.... |
9 | 3F36 | Kd = 1.3 mM | IP0 | C9 H12 O | CC(C)c1ccc.... |
10 | 1XZ3 | Ka ~ 100000 M^-1 | ICF | C3 H2 Cl F5 O | [C@H](C(F).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 73M | 1 | 1 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | CPT | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | CPT | 0.9963 |
2 | TCV | 0.9461 |
3 | ALF | 0.9400 |
4 | AF3 | 0.9335 |
5 | VN4 | 0.9263 |
6 | CP2 | 0.9249 |
7 | KCS | 0.9178 |
8 | 9UX | 0.9148 |
9 | BRP | 0.9111 |
10 | MCH | 0.9058 |
11 | 1BP | 0.8944 |
12 | BEF | 0.8910 |
13 | DCE | 0.8891 |
14 | DTZ | 0.8856 |
15 | 61G | 0.8849 |
16 | ATO | 0.8771 |
17 | OSM | 0.8767 |
18 | 2A1 | 0.8720 |
19 | BRJ | 0.8678 |
20 | F3V | 0.8669 |
21 | TF4 | 0.8666 |
22 | J3K | 0.8634 |
23 | NIS | 0.8627 |
24 | HAE | 0.8625 |
25 | PYR | 0.8600 |