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2-Phenylnaphtho[2,3-D]oxazole-4,9-dione

E3L045308
Internal ID: BDB045308
Activity data available Local docking-ready structure
Dock with Q8TAF3
Structure
/e3_file/ligand_db/generated/BDB045308/BDB045308.sdf
Basic Properties
Compound ID
E3L045308
Internal ID
BDB045308
Molecular formula
C17H9NO3
Molecular weight
275.263000
Exact mass
275.058243
XLogP
3.1170
TPSA
60.1700
HBA / HBD
4 / 0
Rotatable bonds
1
Heavy atoms / rings
21 / 4
Activity summary
IC50 unknown 544.00000000 nM
1 activity record(s) imported
InChIKey
CMYQQADDUUDCCA-UHFFFAOYSA-N
SMILES
O=C1c2ccccc2C(=O)c2oc(-c3ccccc3)nc21
Aliases
BDBM50069763 (preferred) 2-Phenylnaphtho[2,3-D]oxazole-4,9-dione (source_name) BDBM50069763 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
Q8TAF3 WDR48;KIAA1449;UAF1
WD repeat-containing protein 48		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM50069763 medium
; target=WD repeat-containing protein 48
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50069763 Open - 10.7270/Q2Z89J20 PMID: 38889606
PubChem CID509070 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready O=C1c2ccccc2C(=O)c2oc(-c3ccccc3)nc21 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB045308/BDB045308.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB045308/BDB045308.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB045308/BDB045308.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB045308/BDB045308.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB045308/BDB045308.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
WD repeat-containing protein 48
Q8TAF3
E3 ligase component 		BindingDB:BDBM50069763 IC50 544 nM Moderate DOI: 10.7270/Q2Z89J20
PMID: 38889606 		1