< Back to small molecule database

N-(2,6-dioxo-3-piperidinyl)-2-hydroxyBenzamide

E3L036789
Internal ID: BDB036789
Activity data available Local docking-ready structure
Dock with Q16531 Dock with Q96SW2
Structure
/e3_file/ligand_db/generated/BDB036789/BDB036789.sdf
Basic Properties
Compound ID
E3L036789
Internal ID
BDB036789
Molecular formula
C12H12N2O4
Molecular weight
248.238000
Exact mass
248.079707
XLogP
-0.0728
TPSA
95.5000
HBA / HBD
4 / 3
Rotatable bonds
2
Heavy atoms / rings
18 / 2
Activity summary
Kd < 10000.00000000 nM
2 activity record(s) imported
InChIKey
VHKAULMYIVRQFG-UHFFFAOYSA-N
SMILES
O=C1CCC(NC(=O)c2ccccc2O)C(=O)N1
Aliases
BDBM733721 (preferred) N-(2,6-dioxo-3-piperidinyl)-2-hydroxyBenzamide (source_name) BDBM733721 (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:BDBM733721 medium
; target=DNA damage-binding protein 1
Q96SW2 CRBN;AD-006
Protein cereblon		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM733721 medium
; target=DNA damage-binding protein 1
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM733721 Open - 10.7270/Q2FN1BRK
PubChem CID65968656 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready O=C1CCC(NC(=O)c2ccccc2O)C(=O)N1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB036789/BDB036789.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB036789/BDB036789.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB036789/BDB036789.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB036789/BDB036789.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB036789/BDB036789.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
DNA damage-binding protein 1
Q16531
E3 ligase component 		BindingDB:BDBM733721 Kd <10000 nM Uncertain DOI: 10.7270/Q2FN1BRK 2 source records