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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 16 families. | |||||
1 | 2Y8C | Ki = 0.4 uM | DUQ | C30 H31 N3 O5 | c1ccc(cc1).... |
2 | 3T60 | Ki = 0.2 uM | DUA | C28 H27 N3 O4 | c1ccc(cc1).... |
3 | 1VYQ | Ki = 4.98 uM | DUX | C28 H25 F N2 O4 | c1ccc(cc1).... |
4 | 3T64 | Ki = 0.2 uM | DU3 | C22 H23 N3 O4 | c1ccc(cc1).... |
5 | 3T70 | Ki = 0.5 uM | DU4 | C23 H25 N3 O4 | C[N@](C[C@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 10 families. | |||||
1 | 2Y8C | Ki = 0.4 uM | DUQ | C30 H31 N3 O5 | c1ccc(cc1).... |
2 | 3T60 | Ki = 0.2 uM | DUA | C28 H27 N3 O4 | c1ccc(cc1).... |
3 | 1VYQ | Ki = 4.98 uM | DUX | C28 H25 F N2 O4 | c1ccc(cc1).... |
4 | 3T64 | Ki = 0.2 uM | DU3 | C22 H23 N3 O4 | c1ccc(cc1).... |
5 | 3T70 | Ki = 0.5 uM | DU4 | C23 H25 N3 O4 | C[N@](C[C@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ALA HIS ALA | 1 | 1 |
2 | ALA HIS HIS ALA | 0.962963 | 0.951219 |
3 | ALA HIS HIS | 0.688525 | 0.883721 |
4 | ALA HIS ALA LYS ALA | 0.68 | 0.847826 |
5 | HIS ILE ALA ALA | 0.513889 | 0.928571 |
6 | HIS ILE PHE SER | 0.5 | 0.886364 |
7 | ALA ILE HIS | 0.486486 | 0.886364 |
8 | GLY HIS GLY | 0.478261 | 0.840909 |
9 | VAL GLU GLU ASP HIS VAL ALA HIS ALA | 0.474747 | 0.8125 |
10 | HIS HIS HIS HIS HIS GLY SER | 0.469136 | 0.74 |
11 | GLY SER SER HIS HIS HIS HIS HIS | 0.4625 | 0.698113 |
12 | LYS HIS LYS | 0.461538 | 0.770833 |
13 | LYS GLY HIS HIS HIS HIS HIS HIS | 0.461538 | 0.795455 |
14 | ASP HIS ASP ALA HIS ALA | 0.447059 | 0.847826 |
15 | AOZ | 0.424242 | 0.727273 |
16 | ACE PHE HIS ALA ALA NH2 | 0.413793 | 0.906977 |
17 | ACE PHE HIS THR ALA NH2 | 0.402174 | 0.795918 |
18 | 8V0 | 0.4 | 0.72 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DU3 | 1 | 1 |
2 | DUA | 0.609756 | 0.969697 |
3 | DUR | 0.585714 | 0.907692 |
4 | DU4 | 0.576471 | 0.911765 |
5 | DUS | 0.5 | 0.7125 |
6 | UMP | 0.487805 | 0.780822 |
7 | DU | 0.487805 | 0.780822 |
8 | DUN | 0.465909 | 0.773333 |
9 | UC5 | 0.45977 | 0.783784 |
10 | DUD | 0.45977 | 0.794521 |
11 | DDU | 0.453333 | 0.776119 |
12 | DUP | 0.450549 | 0.773333 |
13 | DUT | 0.43956 | 0.794521 |
14 | DUT MG | 0.434783 | 0.791667 |
15 | UM3 | 0.433735 | 0.767123 |
16 | DUX | 0.428571 | 0.777778 |
17 | UMP AF3 PO4 | 0.425532 | 0.730769 |
No: | Ligand | Similarity coefficient |
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No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 1) in the query (biounit: 3t64.bio2) has 17 residues | |||
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No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3t64.bio2) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 3t64.bio2) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 3t64.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 3t64.bio1) has 26 residues | |||
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No: | Leader PDB | Ligand | Sequence Similarity |