PDB Entry (6v2r)

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Visualizer: MichelaNGLo

PDB ID: 6v2r Resolution: 1.6 Å Exp. Method: X-RAY DIFFRACTION
PMID: 32470319 DOI: 10.1016/j.chembiol.2020.05.007
Protein
Protein Name: Chromobox protein homolog 7
Protein Class: TRANSCRIPTION REGULATOR
Uniprot ID/ACC: O95931 (CBX7_HUMAN) Organism: Homo sapiens
Gene Symbol: CBX7 Gene ID: 23492
Pocket Descriptors
Volume: 716.352 Depth: 22.2063
Hydrophobicity: 0.729032 Drug Score: 0.512957
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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