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Wogonin

E3L046555
Internal ID: BDB046555
Activity data available Local docking-ready structure
Dock with P51948
Structure
/e3_file/ligand_db/generated/BDB046555/BDB046555.sdf
Basic Properties
Compound ID
E3L046555
Internal ID
BDB046555
Molecular formula
C16H12O5
Molecular weight
284.267000
Exact mass
284.068473
XLogP
2.8798
TPSA
79.9000
HBA / HBD
5 / 2
Rotatable bonds
2
Heavy atoms / rings
21 / 3
Activity summary
IC50 unknown 12300.00000000 nM
1 activity record(s) imported
InChIKey
XLTFNNCXVBYBSX-UHFFFAOYSA-N
SMILES
COc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12
Aliases
BDBM50140257 (preferred) Wogonin (source_name) BDBM50140257 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
P51948 MNAT1;CAP35;MAT1;RNF66
CDK-activating kinase assembly factor MAT1		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM50140257 medium
; target=Cyclin-H
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50140257 Open - 10.1016/j.bmc.2019.01.027 PMID: 30733087
PubChem CID5281703 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready COc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB046555/BDB046555.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB046555/BDB046555.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB046555/BDB046555.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB046555/BDB046555.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB046555/BDB046555.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Cyclin-H
P51948
E3 ligase component 		BindingDB:BDBM50140257 IC50 12300 nM Low DOI: 10.1016/j.bmc.2019.01.027
PMID: 30733087 		1