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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 19 families. | |||||
1 | 1NM6 | Ki = 0.09 nM | L86 | C27 H33 Cl N6 O2 | c1ccc(cc1).... |
2 | 1NT1 | Ki = 1.3 nM | T76 | C25 H33 Cl N4 O5 | c1cc2c(cc1.... |
3 | 1TA6 | Ki = 0.74 nM | 177 | C24 H35 Cl N4 O4 | CCNC(=O)CO.... |
4 | 1Z71 | Ki = 0.66 nM | L17 | C22 H20 Cl2 F2 N4 O3 | C[C@H](c1c.... |
5 | 1ZRB | Ki = 0.77 nM | 062 | C26 H25 Cl N4 O4 | c1ccc2c(c1.... |
6 | 3C1K | Ki = 0.36 nM | T15 | C26 H34 N6 O5 S | Cc1c(n(cn1.... |
7 | 1TA2 | Ki = 3 nM | 176 | C27 H27 Cl2 N3 O2 | c1ccc(cc1).... |
8 | 1SL3 | Ki = 1.4 pM | 170 | C21 H17 Cl2 F2 N9 O3 | c1cc[n+](c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 16 families. | |||||
1 | 1NM6 | Ki = 0.09 nM | L86 | C27 H33 Cl N6 O2 | c1ccc(cc1).... |
2 | 1NT1 | Ki = 1.3 nM | T76 | C25 H33 Cl N4 O5 | c1cc2c(cc1.... |
3 | 1TA6 | Ki = 0.74 nM | 177 | C24 H35 Cl N4 O4 | CCNC(=O)CO.... |
4 | 1Z71 | Ki = 0.66 nM | L17 | C22 H20 Cl2 F2 N4 O3 | C[C@H](c1c.... |
5 | 1ZRB | Ki = 0.77 nM | 062 | C26 H25 Cl N4 O4 | c1ccc2c(c1.... |
6 | 3C1K | Ki = 0.36 nM | T15 | C26 H34 N6 O5 S | Cc1c(n(cn1.... |
7 | 1TA2 | Ki = 3 nM | 176 | C27 H27 Cl2 N3 O2 | c1ccc(cc1).... |
8 | 1SL3 | Ki = 1.4 pM | 170 | C21 H17 Cl2 F2 N9 O3 | c1cc[n+](c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 176 | 1 | 1 |
2 | 23U | 0.698795 | 0.980392 |
3 | N6L | 0.678571 | 0.980769 |
4 | 44U | 0.62963 | 0.818182 |
5 | LXW | 0.623529 | 0.833333 |
6 | 33U | 0.602273 | 0.803571 |
7 | 22U | 0.478723 | 0.961538 |
8 | 19U | 0.477778 | 0.888889 |
9 | P97 | 0.453608 | 0.910714 |
10 | B01 | 0.453608 | 0.909091 |
11 | 177 | 0.448598 | 0.757576 |
12 | 02P | 0.444444 | 0.864407 |
13 | 98P | 0.44 | 0.85 |
14 | 51U | 0.4375 | 0.833333 |
15 | B03 | 0.43299 | 0.818182 |
16 | 37U | 0.43299 | 0.924528 |
17 | 21U | 0.427083 | 0.857143 |
18 | 64U | 0.42 | 0.924528 |
19 | GOZ | 0.412371 | 0.754098 |
20 | 45S | 0.411765 | 0.925926 |
21 | B04 | 0.408163 | 0.779661 |
22 | M6Q | 0.405941 | 0.779661 |
23 | 06P | 0.402062 | 0.775862 |
24 | P05 | 0.402062 | 0.818182 |
No: | Ligand | Similarity coefficient |
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