PDB Entry (6v2s) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 6v2s | Resolution: 1.6 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 32470319 | DOI: 10.1016/j.chembiol.2020.05.007 | |
Protein |
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Protein Name: M-phase phosphoprotein 8 | |
Protein Class: TRANSCRIPTION REGULATOR | |
Uniprot ID/ACC: Q99549 (MPP8_HUMAN) | Organism: Homo sapiens |
Gene Symbol: MPHOSPH8 | Gene ID: 54737 |
Pocket Descriptors | |
Volume: 470.272 | Depth: 17.4723 |
Hydrophobicity: 0.762376 | Drug Score: 0.3255 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: N~6~,N~6~-diethyl-L-lysine | ||
HET ID: ELY | PubChem: 53320301 | |
DrugBank: - | ChEMBL: CHEMBL1738796 | |
Canonical SMILES: CCN(CCCC[C@@H](C(=O)O)N)CC | ||
Standard InChI: InChI=1S/C10H22N2O2/c1-3-12(4-2)8-6-5-7-9(11)10(13)14/h9H,3-8,11H2,1-2H3,(H,13,14)/t9-/m0/s1 | ||
Molecular Formula: C10H22N2O2 | Mol. Weight: 202.29388 | Heavy Atoms: 14 |
Charge: 0 | Is Chiral: True | logP: 1.6107 |
HBD: 2 | HBA: 4 | TPSA: 66.56 |
#Bonds: 14 | #Rotatable Bonds: 8 | Shape Complexity: 0.9 |
Stereocomplexity: 0.1 | Ligand Type: peptide inhibitor |
Binding Affinity |
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