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BDBM50646503

E3L065054
Internal ID: BDB065054
Activity data available Local docking-ready structure
Dock with Q8TAF3
Structure
/e3_file/ligand_db/generated/BDB065054/BDB065054.sdf
Basic Properties
Compound ID
E3L065054
Internal ID
BDB065054
Molecular formula
C28H24F3N5O
Molecular weight
503.528000
Exact mass
503.193295
XLogP
6.2784
TPSA
65.6000
HBA / HBD
4 / 0
Rotatable bonds
5
Heavy atoms / rings
37 / 5
Activity summary
IC50 unknown 511.00000000 nM
1 activity record(s) imported
InChIKey
NUFGEWLSWVHTLI-UHFFFAOYSA-N
SMILES
Cc1ccccc1-c1ncc2ccc(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C(C)C)cc3)c2n1
Aliases
BDBM50646503 (preferred) 2-(2-Methylphenyl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (source_name) BDBM50646503 (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:BDBM50646503 medium
; target=WD repeat-containing protein 48
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50646503 Open - 10.7270/Q2Z89J20 PMID: 38889606
PubChem CID177377971 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready Cc1ccccc1-c1ncc2ccc(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C(C)C)cc3)c2n1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB065054/BDB065054.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB065054/BDB065054.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB065054/BDB065054.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB065054/BDB065054.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB065054/BDB065054.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
WD repeat-containing protein 48
Q8TAF3
E3 ligase component 		BindingDB:BDBM50646503 IC50 511 nM Moderate DOI: 10.7270/Q2Z89J20
PMID: 38889606 		1