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N-(2,6-dioxo-3-piperidyl)cyclopentanecarboxamide

E3L031573
Internal ID: BDB031573
Activity data available Local docking-ready structure
Dock with Q16531 Dock with Q96SW2
Structure
/e3_file/ligand_db/generated/BDB031573/BDB031573.sdf
Basic Properties
Compound ID
E3L031573
Internal ID
BDB031573
Molecular formula
C11H16N2O3
Molecular weight
224.260000
Exact mass
224.116092
XLogP
0.0980
TPSA
75.2700
HBA / HBD
3 / 2
Rotatable bonds
2
Heavy atoms / rings
16 / 2
Activity summary
Kd unknown 12.00000000 nM
2 activity record(s) imported
InChIKey
GVVMLDZDEDVDJM-UHFFFAOYSA-N
SMILES
O=C1CCC(NC(=O)C2CCCC2)C(=O)N1
Aliases
BDBM631084 (preferred) N-(2,6-dioxo-3-piperidyl)cyclopentanecarboxamide (source_name) BDBM631084 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
Q16531 DDB1;XAP1
DNA damage-binding protein 1		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM631084 medium
; target=DNA damage-binding protein 1
Q96SW2 CRBN;AD-006
Protein cereblon		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM631084 medium
; target=DNA damage-binding protein 1
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM631084 Open - 10.7270/Q20869GN
PubChem CID65954274 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready O=C1CCC(NC(=O)C2CCCC2)C(=O)N1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB031573/BDB031573.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB031573/BDB031573.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB031573/BDB031573.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB031573/BDB031573.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB031573/BDB031573.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
DNA damage-binding protein 1
Q16531
E3 ligase component 		BindingDB:BDBM631084 Kd 12 nM High DOI: 10.7270/Q20869GN 2 source records