< Back to small molecule database

LIG001095

E3L066525
Internal ID: LIG001095
E3-ligand related No standardized activity value Local docking-ready structure
Dock with Q8TEB1
Structure
/e3_file/ligand_db/generated/LIG001095/LIG001095.sdf
Basic Properties
Compound ID
E3L066525
Internal ID
LIG001095
Molecular formula
C17H16Cl2N2O2
Molecular weight
351.233000
Exact mass
350.058883
XLogP
3.0525
TPSA
58.2000
HBA / HBD
2 / 2
Rotatable bonds
6
Heavy atoms / rings
23 / 2
Activity summary
No standardized activity value was imported for this source record.
InChIKey
OOWBZXBMBGHPDI-UHFFFAOYSA-N
SMILES
O=C(CCl)NC(C(=O)NCc1ccccc1)c1ccc(Cl)cc1
Aliases
e3_ligand:68 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
Q8TEB1 DCAF11;WDR23;GL014;PRO2389
DDB1- and CUL4-associated factor 11
direct_binder e3_ligand Yes Yes medium e3_ligand:68 high
DCAF11
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
e3_ligand 68 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready O=C(CCl)NC(C(=O)NCc1ccccc1)c1ccc(Cl)cc1 keep_base
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/LIG001095/LIG001095.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/LIG001095/LIG001095.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/LIG001095/LIG001095.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/LIG001095/LIG001095.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/LIG001095/LIG001095.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.