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Succinimide

E3L000093
Internal ID: BDB000093
Activity data available Local docking-ready structure
Dock with Q96SW2
Structure
/e3_file/ligand_db/generated/BDB000093/BDB000093.sdf
Basic Properties
Compound ID
E3L000093
Internal ID
BDB000093
Molecular formula
C4H5NO2
Molecular weight
99.089000
Exact mass
99.032028
XLogP
-0.5770
TPSA
46.1700
HBA / HBD
2 / 1
Rotatable bonds
0
Heavy atoms / rings
7 / 1
Activity summary
Ki unknown 4300.00000000 nM
5 activity record(s) imported
InChIKey
KZNICNPSHKQLFF-UHFFFAOYSA-N
SMILES
O=C1CCC(=O)N1
Aliases
BDBM7814 (preferred) Succinimide (source_name) BDBM7814 (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:BDBM7814 medium
; target=Protein cereblon
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM7814 Open - 10.1021/acs.jmedchem.5b01735; 10.1021/acsmedchemlett.0c00440; 10.1021/acs.jmedchem.2c01882 PMID: 26730808; 33488967; 36821822
PubChem CID11439 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready O=C1CCC(=O)N1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB000093/BDB000093.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB000093/BDB000093.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB000093/BDB000093.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB000093/BDB000093.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB000093/BDB000093.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Protein cereblon
Q96SW2
E3 ligase component 		BindingDB:BDBM7814 IC50 22300 nM Low DOI: 10.1021/acsmedchemlett.0c00440
PMID: 33488967 		1
Protein cereblon
Q96SW2
E3 ligase component 		BindingDB:BDBM7814 IC50 34500 nM Low DOI: 10.1021/acs.jmedchem.5b01735
PMID: 26730808 		1
Protein cereblon
Q96SW2
E3 ligase component 		BindingDB:BDBM7814 Ki 8190 nM Low DOI: 10.1021/acsmedchemlett.0c00440
PMID: 33488967 		1
Protein cereblon
Q96SW2
E3 ligase component 		BindingDB:BDBM7814 Ki 4300 nM Low DOI: 10.1021/acs.jmedchem.2c01882
PMID: 36821822 		1
Protein cereblon
Q96SW2
E3 ligase component 		BindingDB:BDBM7814 Ki 26200 nM Low DOI: 10.1021/acs.jmedchem.5b01735
PMID: 26730808 		1