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WIZ degrader 6

E3L000015
Internal ID: BDB000015
Activity data available Local docking-ready structure
Dock with O95365
Structure
/e3_file/ligand_db/generated/BDB000015/BDB000015.sdf
Basic Properties
Compound ID
E3L000015
Internal ID
BDB000015
Molecular formula
C28H22FN5O5
Molecular weight
527.512000
Exact mass
527.160497
XLogP
3.9579
TPSA
122.6300
HBA / HBD
7 / 2
Rotatable bonds
5
Heavy atoms / rings
39 / 6
Activity summary
EC50 unknown 55.00000000 nM
1 activity record(s) imported
InChIKey
RZOWKEWOOLNSRT-UHFFFAOYSA-N
SMILES
Cc1cccc(F)c1Oc1ccc2c(cnn2C)c1Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
Aliases
BDBM4204 (preferred) WIZ degrader 6 (source_name) BDBM4204 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
O95365 ZBTB7A;FBI1;LRF;ZBTB7;ZNF857A
Zinc finger and BTB domain-containing protein 7A
reported_binder bindingdb_reported Yes No low BindingDB:BDBM4204 medium
; target=Zinc finger and BTB domain-containing protein 7A
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM4204 Open - 10.7270/Q24X5DJ6
PubChem CID171554169 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready Cc1cccc(F)c1Oc1ccc2c(cnn2C)c1Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB000015/BDB000015.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB000015/BDB000015.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB000015/BDB000015.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB000015/BDB000015.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB000015/BDB000015.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Zinc finger and BTB domain-containing protein 7A
O95365
E3 ligase component
BindingDB:BDBM4204 EC50 55 nM High DOI: 10.7270/Q24X5DJ6 1