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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 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 | DU4 | 1 | 1 |
2 | DU3 | 0.576471 | 0.911765 |
3 | DUR | 0.569444 | 0.826087 |
4 | DUA | 0.505618 | 0.885714 |
5 | DUS | 0.487805 | 0.695122 |
6 | DDU | 0.48 | 0.779412 |
7 | UMP | 0.47619 | 0.76 |
8 | DU | 0.47619 | 0.76 |
9 | DUP | 0.472527 | 0.730769 |
10 | DUD | 0.465909 | 0.75 |
11 | DUN | 0.455556 | 0.730769 |
12 | UC5 | 0.449438 | 0.74026 |
13 | DUT | 0.445652 | 0.75 |
14 | UM3 | 0.440476 | 0.723684 |
15 | DUX | 0.434783 | 0.756757 |
16 | DUT MG | 0.425532 | 0.77027 |
17 | UMP AF3 PO4 | 0.416667 | 0.7125 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GLY HIS GLY | 1 | 1 |
2 | GLY SER SER HIS HIS HIS HIS HIS | 0.533333 | 0.823529 |
3 | ALA HIS ALA | 0.478261 | 0.840909 |
4 | ALA HIS HIS ALA | 0.464789 | 0.804348 |
5 | LYS GLY HIS HIS HIS HIS HIS HIS | 0.454545 | 0.822222 |
6 | GLY HIS ARG PRO NH2 | 0.451613 | 0.736842 |
7 | HIS HIS HIS HIS HIS GLY SER | 0.444444 | 0.875 |
8 | ALA HIS HIS | 0.442857 | 0.787234 |
9 | 8V0 | 0.432836 | 0.854167 |
10 | GLY HIS ARG PRO | 0.421053 | 0.711864 |
11 | GLN GLY HIS GLY GLU | 0.418605 | 0.893617 |
12 | LYS HIS LYS | 0.417722 | 0.833333 |
No: | Ligand | Similarity coefficient |
---|
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ALA PHE THR | 0.8934 |
This union binding pocket(no: 1) in the query (biounit: 3t64.bio2) has 17 residues | |||
---|---|---|---|
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 | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |