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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 4FAI | - | PBD | C15 H20 N4 O2 S | COc1ccc(cc.... |
2 | 4FBE | - | PBD | C15 H20 N4 O2 S | COc1ccc(cc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4F9V | - | PBD | C15 H20 N4 O2 S | COc1ccc(cc.... |
2 | 4F9U | Ki = 3139 nM | PBD | C15 H20 N4 O2 S | COc1ccc(cc.... |
3 | 3PB7 | Ki = 1.817 uM | PBD | C15 H20 N4 O2 S | COc1ccc(cc.... |
4 | 3PB8 | Ki = 5.748 uM | AHN | C7 H11 N3 O | CC(=O)NCCc.... |
5 | 3PB9 | Ki = 0.262 uM | 1BN | C10 H10 N2 | c1ccc(cc1).... |
6 | 4FAI | - | PBD | C15 H20 N4 O2 S | COc1ccc(cc.... |
7 | 4FBE | - | PBD | C15 H20 N4 O2 S | COc1ccc(cc.... |
8 | 2AFU | - | BGT | C9 H18 N2 O3 | CC(C)(C)OC.... |
9 | 6YJY | - | PCA LEU TYR | n/a | n/a |
10 | 3PBB | Ki = 0.095 uM | PBD | C15 H20 N4 O2 S | COc1ccc(cc.... |
11 | 2AFW | Ki = 17 uM | AHN | C7 H11 N3 O | CC(=O)NCCc.... |
12 | 4YWY | - | PBD | C15 H20 N4 O2 S | COc1ccc(cc.... |
13 | 2AFZ | - | NVI | C5 H7 N2 | C=C[n+]1cc.... |
14 | 2AFX | - | 1BN | C10 H10 N2 | c1ccc(cc1).... |
15 | 6GBX | Ki = 0.02 uM | S77 | C18 H19 F N6 | Cn1cnnc1C2.... |
16 | 6YI1 | - | ORT PHE 66N | n/a | n/a |
17 | 3SI2 | ic50 = 3 nM | PBD | C15 H20 N4 O2 S | COc1ccc(cc.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PBD | 1 | 1 |
No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 1) in the query (biounit: 4fai.bio2) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4fai.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |