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N,N~2~-bis[(4-methoxyphenyl)methyl]glycinamide

E3L063527
Internal ID: BDB063527
Activity data available Local docking-ready structure
Dock with Q8IVV7
Structure
/e3_file/ligand_db/generated/BDB063527/BDB063527.sdf
Basic Properties
Compound ID
E3L063527
Internal ID
BDB063527
Molecular formula
C18H22N2O3
Molecular weight
314.385000
Exact mass
314.163043
XLogP
2.1098
TPSA
59.5900
HBA / HBD
4 / 2
Rotatable bonds
8
Heavy atoms / rings
23 / 2
Activity summary
Kd unknown 3400.00000000 nM
1 activity record(s) imported
InChIKey
RXVZBFSJKBZCTM-UHFFFAOYSA-N
SMILES
COc1ccc(CNCC(=O)NCc2ccc(OC)cc2)cc1
Aliases
BDBM50621190 (preferred) N,N~2~-bis[(4-methoxyphenyl)methyl]glycinamide (source_name) BDBM50621190 (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:BDBM50621190 medium
; target=Glucose-induced degradation protein 4 homolog
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50621190 Open - 10.1039/d3md00633f PMID: 38516600
PubChem CID10946965 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready COc1ccc(CNCC(=O)NCc2ccc(OC)cc2)cc1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB063527/BDB063527.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB063527/BDB063527.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB063527/BDB063527.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB063527/BDB063527.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB063527/BDB063527.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Glucose-induced degradation protein 4 homolog
Q8IVV7
E3 ligase component 		BindingDB:BDBM50621190 Kd 3400 nM Low DOI: 10.1039/d3md00633f
PMID: 38516600 		1