PDB Entry (6v41) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 6v41 | 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: Testis-specific chromodomain protein Y 1 | |
Protein Class: TRANSCRIPTION REGULATOR | |
Uniprot ID/ACC: Q9Y6F8 (CDY1_HUMAN) | Organism: Homo sapiens |
Gene Symbol: CDY1B | Gene ID: 253175 |
Pocket Descriptors | |
Volume: 650.816 | Depth: 21.0523 |
Hydrophobicity: 0.683871 | Drug Score: 0.223074 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: N-TRIMETHYLLYSINE | ||
HET ID: M3L | PubChem: 440121, 6992003 | |
DrugBank: DB03977 | ChEMBL: CHEMBL1234168 | |
Canonical SMILES: OC(=O)[C@H](CCCC[N+](C)(C)C)N | ||
Standard InChI: InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1 | ||
Molecular Formula: C9H21N2O2+ | Mol. Weight: 189.27524 | Heavy Atoms: 13 |
Charge: 1 | Is Chiral: True | logP: 0.9751 |
HBD: 2 | HBA: 3 | TPSA: 63.32 |
#Bonds: 13 | #Rotatable Bonds: 6 | Shape Complexity: 0.8888889 |
Stereocomplexity: 0.11111111 | Ligand Type: H3K9me3 |
Binding Affinity |
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