PDB Entry (6h0y) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 6h0y | Resolution: 1.21 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: 893.312 | Depth: 18.8 |
Hydrophobicity: 0.666667 | Drug Score: 0.685843 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: (2~{R})-3-(4-methoxyphenyl)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)propanehydrazide | ||
HET ID: FHZ | PubChem: 145864180 | |
DrugBank: - | ChEMBL: - | |
Canonical SMILES: NNC(=O)[C@@H](c1n[nH]nn1)Cc1ccc(cc1)OC | ||
Standard InChI: InChI=1S/C11H14N6O2/c1-19-8-4-2-7(3-5-8)6-9(11(18)13-12)10-14-16-17-15-10/h2-5,9H,6,12H2,1H3,(H,13,18)(H,14,15,16,17)/t9-/m1/s1 | ||
Molecular Formula: C11H14N6O2 | Mol. Weight: 262.26785 | Heavy Atoms: 19 |
Charge: 0 | Is Chiral: True | logP: 0.6157 |
HBD: 3 | HBA: 7 | TPSA: 118.81 |
#Bonds: 22 | #Rotatable Bonds: 6 | Shape Complexity: 0.27272728 |
Stereocomplexity: 0.09090909 | Ligand Type: Small Molecule |
Binding Affinity |
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