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PDB Entry (5plo) Download |
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Visualizer: MichelaNGLo |
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| PDB ID: 5plo | Resolution: 1.14 Å | Exp. Method: X-RAY DIFFRACTION |
| PMID: 28436492 | DOI: 10.1038/ncomms15123 | |
Protein |
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| Protein Name: Lysine-specific demethylase 4D | |
| Protein Class: TRANSCRIPTION REGULATOR | |
| Uniprot ID/ACC: Q6B0I6 (KDM4D_HUMAN) | Organism: Homo sapiens |
| Gene Symbol: KDM4D | Gene ID: 55693 |
Pocket Descriptors | |
| Volume: 832.448 | Depth: 19.3825 |
| Hydrophobicity: 0.666667 | Drug Score: 0.647169 |
| Pocket Similarity: Calculate | |
Ligand |
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| Ligand Name: N-OXALYLGLYCINE | ||
| HET ID: OGA | PubChem: 3080614 | |
| DrugBank: - | ChEMBL: CHEMBL90852 | |
| Canonical SMILES: OC(=O)CNC(=O)C(=O)O | ||
| Standard InChI: InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10) | ||
| Molecular Formula: C4H5NO5 | Mol. Weight: 147.0862 | Heavy Atoms: 10 |
| Charge: 0 | Is Chiral: False | logP: -1.3373 |
| HBD: 3 | HBA: 6 | TPSA: 103.7 |
| #Bonds: 9 | #Rotatable Bonds: 4 | Shape Complexity: 0.25 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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