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Nvs-bptf-1

E3L061120
Internal ID: BDB061120
Activity data available Local docking-ready structure
Dock with Q12830
Structure
/e3_file/ligand_db/generated/BDB061120/BDB061120.sdf
Basic Properties
Compound ID
E3L061120
Internal ID
BDB061120
Molecular formula
C26H28FN7O3S
Molecular weight
537.621000
Exact mass
537.195837
XLogP
3.0201
TPSA
104.8400
HBA / HBD
7 / 1
Rotatable bonds
6
Heavy atoms / rings
38 / 6
Activity summary
Kd unknown 71.00000000 nM
1 activity record(s) imported
InChIKey
JYTISQGEFSHUIR-UHFFFAOYSA-N
SMILES
Cc1c(Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2F)nc2ccc(-c3cnn(C4CC4)c3)cn2c1=O
Aliases
BDBM50573852 (preferred) Nvs-bptf-1 (source_name) BDBM50573852 (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:BDBM50573852 medium
; target=Nucleosome-remodeling factor subunit BPTF
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50573852 Open - 10.1021/acs.jmedchem.1c00721 PMID: 34375106
PubChem CID154827476 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready Cc1c(Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2F)nc2ccc(-c3cnn(C4CC4)c3)cn2c1=O keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB061120/BDB061120.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB061120/BDB061120.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB061120/BDB061120.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB061120/BDB061120.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB061120/BDB061120.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Nucleosome-remodeling factor subunit BPTF
Q12830
E3 ligase component 		BindingDB:BDBM50573852 Kd 71 nM High DOI: 10.1021/acs.jmedchem.1c00721
PMID: 34375106 		1