PDB Entry (6v2s)

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Visualizer: MichelaNGLo

PDB ID: 6v2s Resolution: 1.6 Å Exp. Method: X-RAY DIFFRACTION
PMID: 32470319 DOI: 10.1016/j.chembiol.2020.05.007
Protein
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
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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