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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 2 families. | |||||
1 | 2CI5 | - | HCS | C4 H9 N O2 S | C(CS)[C@@H.... |
2 | 2JAJ | ic50 < 25 uM | D20 | C9 H20 N4 O3 | COCCNC(=N).... |
3 | 2C6Z | - | CIR | C6 H13 N3 O3 | C(C[C@@H](.... |
4 | 2JAI | - | CIR | C6 H13 N3 O3 | C(C[C@@H](.... |
5 | 6SZP | Ki = 18 uM | M3B | C8 H22 N4 O | COCCN[C@@H.... |
6 | 3P8P | Kd = 28 uM | LN6 | C10 H21 N3 O2 | [H]/N=C(CC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 2CI5 | - | HCS | C4 H9 N O2 S | C(CS)[C@@H.... |
2 | 2JAJ | ic50 < 25 uM | D20 | C9 H20 N4 O3 | COCCNC(=N).... |
3 | 2C6Z | - | CIR | C6 H13 N3 O3 | C(C[C@@H](.... |
4 | 2JAI | - | CIR | C6 H13 N3 O3 | C(C[C@@H](.... |
5 | 6SZP | Ki = 18 uM | M3B | C8 H22 N4 O | COCCN[C@@H.... |
6 | 3P8P | Kd = 28 uM | LN6 | C10 H21 N3 O2 | [H]/N=C(CC.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | D20 | 1 | 1 |
2 | 1KJ | 0.64 | 0.75 |
3 | NMM | 0.625 | 0.790698 |
4 | 2KJ | 0.592593 | 0.734694 |
5 | HAR | 0.591837 | 0.673469 |
6 | ILO | 0.55102 | 0.704545 |
7 | AS1 | 0.535714 | 0.723404 |
8 | 4JK | 0.529412 | 0.75 |
9 | DA2 | 0.509434 | 0.714286 |
10 | VUR | 0.5 | 0.688889 |
11 | 3KJ | 0.5 | 0.660377 |
12 | CIR | 0.5 | 0.652174 |
13 | JM2 | 0.490909 | 0.777778 |
14 | WT2 | 0.490566 | 0.681818 |
15 | ARG | 0.489796 | 0.744186 |
16 | DAR | 0.489796 | 0.744186 |
17 | LN6 | 0.473684 | 0.733333 |
18 | RGE | 0.473684 | 0.660714 |
19 | 2MR | 0.472727 | 0.772727 |
20 | JM4 | 0.466667 | 0.673469 |
21 | JM8 | 0.466667 | 0.723404 |
22 | JM7 | 0.465517 | 0.73913 |
23 | 3AR | 0.454545 | 0.795455 |
24 | VIO | 0.446429 | 0.695652 |
25 | JM6 | 0.442623 | 0.782609 |
26 | JM5 | 0.435484 | 0.723404 |
27 | HRG | 0.433962 | 0.744186 |
This union binding pocket(no: 1) in the query (biounit: 2jaj.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2jaj.bio2) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |