PDB Entry (5h25) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 5h25 | Resolution: 2.88 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 28092155 | DOI: 10.1021/acs.jmedchem.6b01576 | |
Protein |
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Protein Name: Polycomb protein EED | |
Protein Class: TRANSCRIPTION REGULATOR | |
Uniprot ID/ACC: O75530 (EED_HUMAN) | Organism: Homo sapiens |
Gene Symbol: EED | Gene ID: 8726 |
Pocket Descriptors | |
Volume: 131.968 | Depth: 12.2779 |
Hydrophobicity: 0.71831 | Drug Score: 0.0694305 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline | ||
HET ID: LQH | PubChem: 10015659 | |
DrugBank: - | ChEMBL: CHEMBL310238 | |
Canonical SMILES: Fc1ccccc1c1cc2ccccc2c2=NCCn12 | ||
Standard InChI: InChI=1S/C17H13FN2/c18-15-8-4-3-7-14(15)16-11-12-5-1-2-6-13(12)17-19-9-10-20(16)17/h1-8,11H,9-10H2 | ||
Molecular Formula: C17H13FN2 | Mol. Weight: 264.29694 | Heavy Atoms: 20 |
Charge: 0 | Is Chiral: False | logP: 2.7973 |
HBD: 0 | HBA: 2 | TPSA: 17.29 |
#Bonds: 23 | #Rotatable Bonds: 1 | Shape Complexity: 0.11764706 |
Stereocomplexity: 0.0 | Ligand Type: Small Molecule |
Binding Affinity |
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