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2-imidazol-1-yl-N-(4-phenyl-1,3-oxazol-2-yl)acetamide

E3L026630
Internal ID: BDB026630
Activity data available Local docking-ready structure
Dock with O60260
Structure
/e3_file/ligand_db/generated/BDB026630/BDB026630.sdf
Basic Properties
Compound ID
E3L026630
Internal ID
BDB026630
Molecular formula
C14H12N4O2
Molecular weight
268.276000
Exact mass
268.096026
XLogP
2.1768
TPSA
72.9500
HBA / HBD
4 / 1
Rotatable bonds
4
Heavy atoms / rings
20 / 3
Activity summary
EC50 unknown 5000.00000000 nM
1 activity record(s) imported
InChIKey
GLJQFUHHLVYRPY-UHFFFAOYSA-N
SMILES
O=C(Cn1ccnc1)Nc1nc(-c2ccccc2)co1
Aliases
BDBM562079 (preferred) 2-imidazol-1-yl-N-(4-phenyl-1,3-oxazol-2-yl)acetamide (source_name) BDBM562079 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
O60260 PRKN;PARK2
E3 ubiquitin-protein ligase parkin		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM562079 medium
; target=E3 ubiquitin-protein ligase parkin
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM562079 Open - 10.7270/Q2B27ZHC
PubChem CID134220606 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready O=C(Cn1ccnc1)Nc1nc(-c2ccccc2)co1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB026630/BDB026630.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB026630/BDB026630.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB026630/BDB026630.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB026630/BDB026630.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB026630/BDB026630.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
E3 ubiquitin-protein ligase parkin
O60260
E3 ligase component 		BindingDB:BDBM562079 EC50 5000 nM Low DOI: 10.7270/Q2B27ZHC 1