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N-benzyl-2-(benzylamino)acetamide

E3L063526
Internal ID: BDB063526
Activity data available Local docking-ready structure
Dock with Q8IVV7
Structure
/e3_file/ligand_db/generated/BDB063526/BDB063526.sdf
Basic Properties
Compound ID
E3L063526
Internal ID
BDB063526
Molecular formula
C16H18N2O
Molecular weight
254.333000
Exact mass
254.141913
XLogP
2.0926
TPSA
41.1300
HBA / HBD
2 / 2
Rotatable bonds
6
Heavy atoms / rings
19 / 2
Activity summary
Kd unknown 9000.00000000 nM
1 activity record(s) imported
InChIKey
WHPBAOBBWAFHRE-UHFFFAOYSA-N
SMILES
O=C(CNCc1ccccc1)NCc1ccccc1
Aliases
BDBM50621189 (preferred) N-benzyl-2-(benzylamino)acetamide (source_name) BDBM50621189 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
Q8IVV7 GID4;C17orf39;VID24
Glucose-induced degradation protein 4 homolog		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM50621189 medium
; target=Glucose-induced degradation protein 4 homolog
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50621189 Open - 10.1039/d3md00633f PMID: 38516600
PubChem CID408045 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready O=C(CNCc1ccccc1)NCc1ccccc1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB063526/BDB063526.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB063526/BDB063526.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB063526/BDB063526.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB063526/BDB063526.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB063526/BDB063526.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Glucose-induced degradation protein 4 homolog
Q8IVV7
E3 ligase component 		BindingDB:BDBM50621189 Kd 9000 nM Low DOI: 10.1039/d3md00633f
PMID: 38516600 		1