PDB Entry (5h25)

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Visualizer: MichelaNGLo

PDB ID: 5h25 Resolution: 2.88 Å Exp. Method: X-RAY DIFFRACTION
PMID: 28092155 DOI: 10.1021/acs.jmedchem.6b01576
Protein
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
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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