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4,4-Dimethylpiperidine-2,6-dione

E3L064836
Internal ID: BDB064836
Activity data available Local docking-ready structure
Dock with Q96SW2
Structure
/e3_file/ligand_db/generated/BDB064836/BDB064836.sdf
Basic Properties
Compound ID
E3L064836
Internal ID
BDB064836
Molecular formula
C7H11NO2
Molecular weight
141.170000
Exact mass
141.078979
XLogP
0.4492
TPSA
46.1700
HBA / HBD
2 / 1
Rotatable bonds
0
Heavy atoms / rings
10 / 1
Activity summary
Ki unknown 102900.00000000 nM
1 activity record(s) imported
InChIKey
YUJCWMGBRDBPDL-UHFFFAOYSA-N
SMILES
CC1(C)CC(=O)NC(=O)C1
Aliases
BDBM50639655 (preferred) 4,4-Dimethylpiperidine-2,6-dione (source_name) BDBM50639655 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
Q96SW2 CRBN;AD-006
Protein cereblon		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM50639655 medium
; target=Protein cereblon
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50639655 Open - 10.7270/Q2PC3713 PMID: 38552426
PubChem CID14292 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready CC1(C)CC(=O)NC(=O)C1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB064836/BDB064836.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB064836/BDB064836.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB064836/BDB064836.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB064836/BDB064836.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB064836/BDB064836.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Protein cereblon
Q96SW2
E3 ligase component 		BindingDB:BDBM50639655 Ki 102900 nM Low DOI: 10.7270/Q2PC3713
PMID: 38552426 		1