PDB Entry (6h0w) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 6h0w | Resolution: 1.23 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: - | DOI: None | |
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: 1647.74 | Depth: 31.3815 |
Hydrophobicity: 0.657825 | Drug Score: 0.959259 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: (2~{R})-3-phenyl-2-(2~{H}-1,2,3,4-tetrazol-5-yl)propanehydrazide | ||
HET ID: FHW | PubChem: 145864177 | |
DrugBank: - | ChEMBL: - | |
Canonical SMILES: NNC(=O)[C@@H](c1n[nH]nn1)Cc1ccccc1 | ||
Standard InChI: InChI=1S/C10H12N6O/c11-12-10(17)8(9-13-15-16-14-9)6-7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,17)(H,13,14,15,16)/t8-/m1/s1 | ||
Molecular Formula: C10H12N6O | Mol. Weight: 232.24188 | Heavy Atoms: 17 |
Charge: 0 | Is Chiral: True | logP: 0.6071 |
HBD: 3 | HBA: 6 | TPSA: 109.58 |
#Bonds: 20 | #Rotatable Bonds: 5 | Shape Complexity: 0.2 |
Stereocomplexity: 0.1 | Ligand Type: Small Molecule |
Binding Affinity |
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