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PDB Entry (4nel) Download |
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Visualizer: MichelaNGLo |
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| PDB ID: 4nel | Resolution: 2.05 Å | Exp. Method: X-RAY DIFFRACTION |
| PMID: - | DOI: None | |
Protein |
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| Protein Name: Transcriptional regulator | |
| Protein Class: TRANSCRIPTION REGULATOR | |
| Uniprot ID/ACC: C7MT25 (C7MT25_SACVD) | Organism: Saccharomonospora viridis |
| Gene Symbol: - | Gene ID: - |
Pocket Descriptors | |
| Volume: 592.704 | Depth: 20.2702 |
| Hydrophobicity: 0.713415 | Drug Score: 0.266867 |
| Pocket Similarity: Calculate | |
Ligand |
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| Ligand Name: N,N-dimethylmethanamine | ||
| HET ID: KEN | PubChem: 1146 | |
| DrugBank: - | ChEMBL: CHEMBL439723 | |
| Canonical SMILES: CN(C)C | ||
| Standard InChI: InChI=1S/C3H9N/c1-4(2)3/h1-3H3 | ||
| Molecular Formula: C3H9N | Mol. Weight: 59.11026 | Heavy Atoms: 4 |
| Charge: 0 | Is Chiral: False | logP: 0.1778 |
| HBD: 0 | HBA: 1 | TPSA: 3.24 |
| #Bonds: 3 | #Rotatable Bonds: 0 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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