PDB Entry (6q0z) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 6q0z | Resolution: 1.75 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 31793776 | DOI: 10.1021/acs.jmedchem.9b01540 | |
Protein |
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Protein Name: Histone deacetylase 6 | |
Protein Class: TRANSCRIPTION REGULATOR | |
Uniprot ID/ACC: F8W4B7 (F8W4B7_DANRE) | Organism: Danio rerio |
Gene Symbol: hdac6 | Gene ID: 565482 |
Pocket Descriptors | |
Volume: 206.272 | Depth: 16.0586 |
Hydrophobicity: 0.744186 | Drug Score: 0.284529 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: 2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide | ||
HET ID: P7V | PubChem: 127027171 | |
DrugBank: - | ChEMBL: CHEMBL3770095 | |
Canonical SMILES: ONC(=O)c1coc(n1)c1ccc(cc1)Br | ||
Standard InChI: InChI=1S/C10H7BrN2O3/c11-7-3-1-6(2-4-7)10-12-8(5-16-10)9(14)13-15/h1-5,15H,(H,13,14) | ||
Molecular Formula: C10H7BrN2O3 | Mol. Weight: 283.0782 | Heavy Atoms: 16 |
Charge: 0 | Is Chiral: False | logP: 2.614 |
HBD: 2 | HBA: 5 | TPSA: 75.36 |
#Bonds: 17 | #Rotatable Bonds: 3 | Shape Complexity: 0.0 |
Stereocomplexity: 0.0 | Ligand Type: Small Molecule |
Binding Affinity |
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