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BDBM43431

E3L002224
Internal ID: BDB002224
Activity data available Local docking-ready structure
Dock with Q00987
Structure
/e3_file/ligand_db/generated/BDB002224/BDB002224.sdf
Basic Properties
Compound ID
E3L002224
Internal ID
BDB002224
Molecular formula
C18H17N3O4
Molecular weight
339.351000
Exact mass
339.121906
XLogP
2.2135
TPSA
75.0200
HBA / HBD
5 / 1
Rotatable bonds
3
Heavy atoms / rings
25 / 4
Activity summary
EC50 unknown 6730.00000000 nM
1 activity record(s) imported
InChIKey
DMSXYYIILDMJHD-UHFFFAOYSA-N
SMILES
O=C1NC(=Cc2ccc(N3CCOCC3)o2)C(=O)N1c1ccccc1
Aliases
BDBM43431 (preferred) 5-[(5-Morpholin-4-ylfuran-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione (source_name) BDBM43431 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
Q00987 MDM2
E3 ubiquitin-protein ligase Mdm2		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM43431 medium
; target=E3 ubiquitin-protein ligase Mdm2
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM43431 Open - 10.7270/Q21J984Z
PubChem CID892684 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready O=C1NC(=Cc2ccc(N3CCOCC3)o2)C(=O)N1c1ccccc1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB002224/BDB002224.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB002224/BDB002224.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB002224/BDB002224.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB002224/BDB002224.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB002224/BDB002224.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
E3 ubiquitin-protein ligase Mdm2
Q00987
E3 ligase component 		BindingDB:BDBM43431 EC50 6730 nM Low DOI: 10.7270/Q21J984Z 1