|
PDB Entry (5oh9) Download |
||
|
Visualizer: MichelaNGLo |
||
| PDB ID: 5oh9 | Resolution: 1.65 Å | Exp. Method: X-RAY DIFFRACTION |
| PMID: 31459225 | DOI: 10.1021/acsomega.8b00959 | |
Protein |
|
| Protein Name: Cereblon isoform 4 | |
| Protein Class: CELL CYCLE | |
| Uniprot ID/ACC: A4TVL0 (A4TVL0_9PROT) | Organism: Magnetospirillum gryphiswaldense |
| Gene Symbol: - | Gene ID: - |
Pocket Descriptors | |
| Volume: 216.896 | Depth: 11.6688 |
| Hydrophobicity: 0.78481 | Drug Score: 0.315963 |
| Pocket Similarity: Calculate | |
Ligand |
||
 | ||
| Ligand Name: 1,3-thiazole-2,4-dione | ||
| HET ID: 9UT | PubChem: 5437 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: O=C1[S]=CC(=O)N1 | ||
| Standard InChI: InChI=1S/C3H2NO2S/c5-2-1-7-3(6)4-2/h1H,(H,4,5,6) | ||
| Molecular Formula: C3H2NO2S | Mol. Weight: 116.11848 | Heavy Atoms: 7 |
| Charge: 0 | Is Chiral: False | logP: 0.1004 |
| HBD: 1 | HBA: 4 | TPSA: 78.26 |
| #Bonds: 7 | #Rotatable Bonds: 0 | Shape Complexity: 0.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
||
- |