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LIG001811

E3L067241
Internal ID: LIG001811
E3-ligand related No standardized activity value Local docking-ready structure
Dock with Q9NXF7
Structure
/e3_file/ligand_db/generated/LIG001811/LIG001811.sdf
Basic Properties
Compound ID
E3L067241
Internal ID
LIG001811
Molecular formula
C12H14ClNO2
Molecular weight
239.702000
Exact mass
239.071306
XLogP
2.2132
TPSA
29.5400
HBA / HBD
2 / 0
Rotatable bonds
2
Heavy atoms / rings
16 / 2
Activity summary
No standardized activity value was imported for this source record.
InChIKey
XJPUWRWIBSSPSL-UHFFFAOYSA-N
SMILES
COc1ccc2c(c1)CCCN2C(=O)CCl
Aliases
e3_ligand:41 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
Q9NXF7 DCAF16;C4orf30
DDB1- and CUL4-associated factor 16		 direct_binder e3_ligand Yes Yes medium e3_ligand:41 high
DCAF16
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
e3_ligand 41 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready COc1ccc2c(c1)CCCN2C(=O)CCl keep_base
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/LIG001811/LIG001811.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/LIG001811/LIG001811.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/LIG001811/LIG001811.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/LIG001811/LIG001811.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/LIG001811/LIG001811.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.