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AKOS018335169

E3L066573
Internal ID: LIG001143
E3-ligand related No standardized activity value Local docking-ready structure
Dock with Q96SW2
Structure
/e3_file/ligand_db/generated/LIG001143/LIG001143.sdf
Basic Properties
Compound ID
E3L066573
Internal ID
LIG001143
Molecular formula
C11H12N2O3
Molecular weight
220.228000
Exact mass
220.084792
XLogP
1.1415
TPSA
58.6400
HBA / HBD
3 / 1
Rotatable bonds
2
Heavy atoms / rings
16 / 2
Activity summary
No standardized activity value was imported for this source record.
InChIKey
PCUUMCBQIMQBTC-UHFFFAOYSA-N
SMILES
COc1ccccc1N1CCC(=O)NC1=O
Aliases
AKOS018335169 (preferred) e3_ligand:79 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
Q96SW2 CRBN;AD-006
Protein cereblon
direct_binder e3_ligand Yes Yes medium e3_ligand:79 high
CRBN
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
e3_ligand 79 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready COc1ccccc1N1CCC(=O)NC1=O keep_base
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/LIG001143/LIG001143.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/LIG001143/LIG001143.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/LIG001143/LIG001143.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/LIG001143/LIG001143.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/LIG001143/LIG001143.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.