< Back to small molecule database

Glutarimide

E3L046680
Internal ID: BDB046680
Activity data available Local docking-ready structure
Dock with Q96SW2
Structure
/e3_file/ligand_db/generated/BDB046680/BDB046680.sdf
Basic Properties
Compound ID
E3L046680
Internal ID
BDB046680
Molecular formula
C5H7NO2
Molecular weight
113.116000
Exact mass
113.047678
XLogP
-0.1869
TPSA
46.1700
HBA / HBD
2 / 1
Rotatable bonds
0
Heavy atoms / rings
8 / 1
Activity summary
Ki unknown 28000.00000000 nM
4 activity record(s) imported
InChIKey
KNCYXPMJDCCGSJ-UHFFFAOYSA-N
SMILES
O=C1CCCC(=O)N1
Aliases
BDBM50146597 (preferred) Glutarimide (source_name) BDBM50146597 (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:BDBM50146597 medium
; target=Protein cereblon
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50146597 Open - 10.1021/acs.jmedchem.5b01735; 10.1021/acs.jmedchem.2c01882; 10.7270/Q2PC3713 PMID: 26730808; 36821822; 38552426
PubChem CID70726 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready O=C1CCCC(=O)N1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB046680/BDB046680.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB046680/BDB046680.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB046680/BDB046680.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB046680/BDB046680.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB046680/BDB046680.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Protein cereblon
Q96SW2
E3 ligase component 		BindingDB:BDBM50146597 IC50 135800 nM Low DOI: 10.1021/acs.jmedchem.5b01735
PMID: 26730808 		1
Protein cereblon
Q96SW2
E3 ligase component 		BindingDB:BDBM50146597 Ki 92500 nM Low DOI: 10.7270/Q2PC3713
PMID: 38552426 		1
Protein cereblon
Q96SW2
E3 ligase component 		BindingDB:BDBM50146597 Ki 28000 nM Low DOI: 10.1021/acs.jmedchem.2c01882
PMID: 36821822 		1
Protein cereblon
Q96SW2
E3 ligase component 		BindingDB:BDBM50146597 Ki 103100 nM Low DOI: 10.1021/acs.jmedchem.5b01735
PMID: 26730808 		1