PDB Entry (6etg) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 6etg | Resolution: 1.28 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 31475772 | DOI: 10.1002/cmdc.201900441 | |
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: 1010.24 | Depth: 24.3902 |
Hydrophobicity: 0.662162 | Drug Score: 0.5 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: [[4-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium | ||
HET ID: BWT | PubChem: 137332072 | |
DrugBank: - | ChEMBL: - | |
Canonical SMILES: [NH3+]NC(=O)c1ccc(cc1)c1nn[nH]n1 | ||
Standard InChI: InChI=1S/C8H8N6O/c9-10-8(15)6-3-1-5(2-4-6)7-11-13-14-12-7/h1-4H,9H2,(H,10,15)(H,11,12,13,14)/p+1 | ||
Molecular Formula: C8H9N6O+ | Mol. Weight: 205.19666 | Heavy Atoms: 15 |
Charge: 1 | Is Chiral: False | logP: -0.8557 |
HBD: 3 | HBA: 5 | TPSA: 111.2 |
#Bonds: 20 | #Rotatable Bonds: 3 | Shape Complexity: 0.0 |
Stereocomplexity: 0.0 | Ligand Type: Small Molecule |
Binding Affinity |
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