Adenosine deaminase
Target ID: CHEMBL1910
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| ADENOSINE | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | Km: 42000.0 nM |  |
| OBELDESIVIR | CC(C)C(=O)OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O | Inhibition: 99.0 % |  |
| AFAMELANOTIDE | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C | Ki: 0.5 nM |  |
| COFORMYCIN | OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)[C@H](O)[C@@H]1O | Ki: 1000000000.0 nM |  |
| PENTOSTATIN | OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)C[C@@H]1O | Ki: 0.0025 nM |  |
| CORDYCEPIN | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O | IC50: 0.5 nM |  |
| GS-441524 | N#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](CO)[C@@H](O)[C@H]1O | EC50: 4100.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [8*]CO | 6.13 | 185 |  |
| c1ncc2ncn([C@H]3CCCO3)c2n1 | 6.81 | 75 |  |
| [13*][C@@H]1O[C@H]([13*])[C@@H](O)[C@H]1O | 2.22 | 75 |  |
| [9*]n1cnc2c(N)ncnc21 | 6.81 | 75 |  |
| [9*]n1cnc2c1N=CNC[C@H]2O | 5.8 | 74 |  |