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5,5-Diphenyl-3-(2-phenylethyl)imidazolidine-2,4-dione

E3L055569
Internal ID: BDB055569
Activity data available Local docking-ready structure
Dock with Q14145
Structure
/e3_file/ligand_db/generated/BDB055569/BDB055569.sdf
Basic Properties
Compound ID
E3L055569
Internal ID
BDB055569
Molecular formula
C23H20N2O2
Molecular weight
356.425000
Exact mass
356.152478
XLogP
3.7247
TPSA
49.4100
HBA / HBD
2 / 1
Rotatable bonds
5
Heavy atoms / rings
27 / 4
Activity summary
Kd unknown 10000.00000000 nM
2 activity record(s) imported
InChIKey
XMZSRGIUWAMNDJ-UHFFFAOYSA-N
SMILES
O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCc1ccccc1
Aliases
BDBM50422758 (preferred) 5,5-Diphenyl-3-(2-phenylethyl)imidazolidine-2,4-dione (source_name) BDBM50422758 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
Q14145 KEAP1;INRF2;KIAA0132;KLHL19
Kelch-like ECH-associated protein 1		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM50422758 medium
; target=Kelch-like ECH-associated protein 1
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50422758 Open - 10.7270/Q2B85DBT PMID: 32668381
PubChem CID44406745 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCc1ccccc1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB055569/BDB055569.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB055569/BDB055569.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB055569/BDB055569.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB055569/BDB055569.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB055569/BDB055569.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Kelch-like ECH-associated protein 1
Q14145
E3 ligase component 		BindingDB:BDBM50422758 Kd 10000 nM Low DOI: 10.7270/Q2B85DBT
PMID: 32668381 		1
Kelch-like ECH-associated protein 1
Q14145
E3 ligase component 		BindingDB:BDBM50422758 Kd 77000 nM Low DOI: 10.7270/Q2B85DBT
PMID: 32668381 		1