Molecule Details
| InChIKey | AERNCSDNVIOZDK-RUNYDTLCSA-N |
|---|---|
| Canonical SMILES | [C][C][C]([C])[C@H]([N]C(=O)N([C]c1ccc([O])cc1)[N]C(=O)[C@H]([C][C][C]N=C([N])[N])[N]C(=O)[C@H]([C][C][C][N+]=C([N])[N])[N]C(=O)[C@H]([C][C]([C])[C])[N]C(=O)[C@H]([C])[N]C(=O)[C@H]([C][O])[N]C(=O)[C@H]([C]c1ccc([O])cc1)[N]C(=O)[C@H]([C]c1ccc([O])cc1)[N]C(=O)[C@H]([C][C][C]N=C([N])[N])[N]C(=O)[C@H]([C])[N]C(=O)[C@H]([C][C]S[C])[N]C(=O)[C@H]([C][C]C([N])=O)[N]C(=O)[C@H]([C][C]C([O])=O)[N]C(=O)[C@@H]1[C][C][C]N1C(=O)[C@@H]([N]C(=O)[C@H]([C])[N]C(=O)[C@H]([C]C([N])=O)[N]C(=O)[C@H]([C]C([O])=O)[N]C(=O)[C][N]C(=O)[C@@H]1[C][C][C]N1C(=O)[C@H]([C]c1ccc([O])cc1)[N]C(=O)[C@@H]([N]C(=O)[C@@H]1[C][C][C]N1C(=O)[C@H]([C][C]C([N])=O)[N]C(=O)[C@H]([C][O])[N]C(=O)[C@@H]1[C][C][C]N1C(=O)[C][N])[C]([C])[O])[C]([C])[O])C(=O)[N][C@@H]([C]C([N])=O)C(=O)[N][C@@H]([C][C]S[C])C(=O)[N][C@@H]([C])C(=O)[N]C([C])([C])C(=O)[N][C@@H]([C][C][C]N=C([N])[N])C(=O)[N][C@@H]([C][C]C([N])=O)C(=O)[N][C@@H]([C][C][C]N=C([N])[N])C(=O)[N][C@@H]([C]c1ccc([O])cc1)C([N])=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.37 |
| Source | BindingDB |
2D Structure
Activity Profile