PDB Entry (6q0z)

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Visualizer: MichelaNGLo

PDB ID: 6q0z Resolution: 1.75 Å Exp. Method: X-RAY DIFFRACTION
PMID: 31793776 DOI: 10.1021/acs.jmedchem.9b01540
Protein
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
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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