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24

E3L065872
Internal ID: LIG000442
E3-ligand related No standardized activity value Local docking-ready structure
Dock with Q66K64
Structure
/e3_file/ligand_db/generated/LIG000442/LIG000442.sdf
Basic Properties
Compound ID
E3L065872
Internal ID
LIG000442
Molecular formula
C21H22Cl2N4O5S
Molecular weight
513.403000
Exact mass
512.068796
XLogP
2.4306
TPSA
121.0800
HBA / HBD
6 / 2
Rotatable bonds
5
Heavy atoms / rings
33 / 4
Activity summary
No standardized activity value was imported for this source record.
InChIKey
GIWNMCGMJVZFCW-UHFFFAOYSA-N
SMILES
CNC(=O)C1CCN(C(=O)c2oc(S(=O)(=O)NC3=CC=C(Cl)C4=C(Cl)C=NC34)cc2C)CC1
Aliases
24 (preferred) e3_ligand:128 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
Q66K64 DCAF15;C19orf72
DDB1- and CUL4-associated factor 15		 direct_binder e3_ligand Yes Yes medium e3_ligand:128 high
DCAF15
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
e3_ligand 128 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready CNC(=O)C1CCN(C(=O)c2oc(S(=O)(=O)NC3=CC=C(Cl)C4=C(Cl)C=NC34)cc2C)CC1 keep_base
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/LIG000442/LIG000442.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/LIG000442/LIG000442.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/LIG000442/LIG000442.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/LIG000442/LIG000442.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/LIG000442/LIG000442.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.