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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 15 families. | |||||
1 | 3G3N | ic50 = 0.51 uM | TC8 | C15 H10 F2 N2 O S | CSC1=Nc2cc.... |
2 | 4Y2B | ic50 = 4.4 nM | EPK | C16 H18 N4 O S | CCN1C(=O)c.... |
3 | 1ZKL | ic50 = 8.1 uM | IBM | C10 H14 N4 O2 | CC(C)CN1c2.... |
4 | 4PM0 | ic50 = 45 nM | 32V | C15 H17 N3 O S | CCN1C(=O)c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 10 families. | |||||
1 | 2QYN | ic50 = 0.57 uM | NPV | C21 H13 N3 O4 | c1cc(cc(c1.... |
2 | 6F8R | ic50 = 20 uM | CZK | C22 H31 N3 O4 | COc1ccc(cc.... |
3 | 6NJI | - | KR4 | C19 H19 Cl N4 O | CCc1nc(nc(.... |
4 | 3G58 | ic50 = 5 nM | 988 | C21 H15 N3 O2 | c1cc(cc(c1.... |
5 | 6BOJ | - | E31 | C21 H20 Cl N3 O | CCc1cc(nc(.... |
6 | 3SL6 | ic50 = 0.29 uM | JN8 | C22 H27 N3 O4 S2 | CCNC(=O)N1.... |
7 | 1OYN | ic50 = 0.55 uM | ROL | C16 H21 N O3 | COc1ccc(cc.... |
8 | 6F8X | ic50 = 17 uM | D08 | C21 H30 N2 O6 | COc1ccc(cc.... |
9 | 2HD1 | ic50 ~ 500 uM | IBM | C10 H14 N4 O2 | CC(C)CN1c2.... |
10 | 5OHJ | ic50 = 0.0378 nM | 9VE | C32 H34 Cl2 F2 N3 O8 S | CN(C)C(=O).... |
11 | 3G3N | ic50 = 0.51 uM | TC8 | C15 H10 F2 N2 O S | CSC1=Nc2cc.... |
12 | 4Y2B | ic50 = 4.4 nM | EPK | C16 H18 N4 O S | CCN1C(=O)c.... |
13 | 1ZKL | ic50 = 8.1 uM | IBM | C10 H14 N4 O2 | CC(C)CN1c2.... |
14 | 4PM0 | ic50 = 45 nM | 32V | C15 H17 N3 O S | CCN1C(=O)c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | EPK | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | LY2 | 0.9195 |
2 | MVJ | 0.9020 |
3 | 372 | 0.9009 |
4 | 8DQ | 0.9002 |
5 | 2AN | 0.8938 |
6 | DUK | 0.8924 |
7 | 8C1 | 0.8916 |
8 | 5BN | 0.8905 |
9 | 32V | 0.8892 |
10 | 19R | 0.8827 |
11 | 22K | 0.8756 |
12 | 7KG | 0.8753 |
13 | PD6 | 0.8738 |
14 | 19A | 0.8734 |
15 | 1YE | 0.8734 |
16 | MHR | 0.8708 |
17 | MFR | 0.8674 |
18 | 2HW | 0.8670 |
19 | JY7 | 0.8655 |
20 | 1D1 | 0.8652 |
21 | EOG | 0.8596 |
22 | YJX | 0.8589 |
23 | 933 | 0.8577 |
This union binding pocket(no: 1) in the query (biounit: 4y2b.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6C7D | EOJ | 38.0117 |
2 | 6C7D | EOJ | 38.0117 |
3 | 6C7D | EOJ | 38.0117 |
4 | 6C7D | EOJ | 38.0117 |
5 | 5C2H | 4XU | 38.1215 |
6 | 5C2H | 4PX | 38.1215 |
7 | 5G57 | 6M5 | 41.9444 |
8 | 5G57 | 6M5 | 41.9444 |
9 | 1XM4 | PIL | 43.4447 |
10 | 1XMU | ROF | 43.4447 |
11 | 1XMU | ROF | 43.4447 |
12 | 1XM4 | PIL | 43.4447 |
13 | 1XON | PIL | 47.851 |
14 | 1XON | PIL | 47.851 |