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N-(4-fluorophenyl)-6-piperazin-1-ylpyridazin-3-amine

E3L064185
Internal ID: BDB064185
Activity data available Local docking-ready structure
Dock with Q12830
Structure
/e3_file/ligand_db/generated/BDB064185/BDB064185.sdf
Basic Properties
Compound ID
E3L064185
Internal ID
BDB064185
Molecular formula
C14H16FN5
Molecular weight
273.315000
Exact mass
273.138974
XLogP
1.7689
TPSA
53.0800
HBA / HBD
5 / 2
Rotatable bonds
3
Heavy atoms / rings
20 / 3
Activity summary
IC50 unknown 25000.00000000 nM
1 activity record(s) imported
InChIKey
NWFHBYSJCZMJFH-UHFFFAOYSA-N
SMILES
Fc1ccc(Nc2ccc(N3CCNCC3)nn2)cc1
Aliases
BDBM50629498 (preferred) N-(4-fluorophenyl)-6-piperazin-1-ylpyridazin-3-amine (source_name) BDBM50629498 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
Q12830 BPTF;FAC1;FALZ
Nucleosome-remodeling factor subunit BPTF		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM50629498 medium
; target=Nucleosome-remodeling factor subunit BPTF
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50629498 Open - 10.1021/acsmedchemlett.3c00343 PMID: 37849548
PubChem CID172462938 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready Fc1ccc(Nc2ccc(N3CCNCC3)nn2)cc1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB064185/BDB064185.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB064185/BDB064185.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB064185/BDB064185.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB064185/BDB064185.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB064185/BDB064185.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Nucleosome-remodeling factor subunit BPTF
Q12830
E3 ligase component 		BindingDB:BDBM50629498 IC50 25000 nM Low DOI: 10.1021/acsmedchemlett.3c00343
PMID: 37849548 		1