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EN884

E3L065702
Internal ID: LIG000272
E3-ligand related No standardized activity value Local docking-ready structure
Dock with P63208
Structure
/e3_file/ligand_db/generated/LIG000272/LIG000272.sdf
Basic Properties
Compound ID
E3L065702
Internal ID
LIG000272
Molecular formula
C14H18N2O
Molecular weight
230.311000
Exact mass
230.141913
XLogP
2.0487
TPSA
33.2000
HBA / HBD
2 / 0
Rotatable bonds
3
Heavy atoms / rings
17 / 2
Activity summary
No standardized activity value was imported for this source record.
InChIKey
DFQDQRLZIBXXOA-UHFFFAOYSA-N
SMILES
C=CC(=O)N1CCC(Cc2ccccn2)CC1
Aliases
EN884 (preferred) e3_ligand:108 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
P63208 SKP1;EMC19;OCP2;SKP1A;TCEB1L
S-phase kinase-associated protein 1		 direct_binder e3_ligand Yes Yes medium e3_ligand:108 high
SKP1
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
e3_ligand 108 - -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready C=CC(=O)N1CCC(Cc2ccccn2)CC1 keep_base
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/LIG000272/LIG000272.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/LIG000272/LIG000272.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/LIG000272/LIG000272.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/LIG000272/LIG000272.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/LIG000272/LIG000272.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
No standardized activity value is available in the imported source data for this compound. The E3 relation and literature/source evidence above are still retained for traceability.