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2-[(2,6-Dioxopiperidin-3-yl)-methylamino]acetamide

E3L027988
Internal ID: BDB027988
Activity data available Local docking-ready structure
Dock with Q16531 Dock with Q96SW2
Structure
/e3_file/ligand_db/generated/BDB027988/BDB027988.sdf
Basic Properties
Compound ID
E3L027988
Internal ID
BDB027988
Molecular formula
C8H13N3O3
Molecular weight
199.210000
Exact mass
199.095691
XLogP
-1.7913
TPSA
92.5000
HBA / HBD
4 / 2
Rotatable bonds
3
Heavy atoms / rings
14 / 1
Activity summary
Kd unknown 30000.00000000 nM
4 activity record(s) imported
InChIKey
WPGHCCOMSCWEFH-UHFFFAOYSA-N
SMILES
CN(CC(N)=O)C1CCC(=O)NC1=O
Aliases
BDBM575313 (preferred) 2-[(2,6-Dioxopiperidin-3-yl)-methylamino]acetamide (source_name) BDBM575313 (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:BDBM575313 medium
; target=DNA damage-binding protein 1
Q96SW2 CRBN;AD-006
Protein cereblon		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM575313 medium
; target=DNA damage-binding protein 1
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM575313 Open - 10.7270/Q2H1357Z; 10.7270/Q20869F6
PubChem CID146573398 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready CN(CC(N)=O)C1CCC(=O)NC1=O keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB027988/BDB027988.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB027988/BDB027988.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB027988/BDB027988.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB027988/BDB027988.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB027988/BDB027988.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
DNA damage-binding protein 1
Q16531
E3 ligase component 		BindingDB:BDBM575313 Kd 30000 nM Low DOI: 10.7270/Q20869F6 2 source records
DNA damage-binding protein 1
Q16531
E3 ligase component 		BindingDB:BDBM575313 Kd 30000 nM Low DOI: 10.7270/Q2H1357Z 2 source records