< Back to small molecule database

4-Ethoxy-3-iodo-5-methoxybenzamide

E3L060904
Internal ID: BDB060904
Activity data available Local docking-ready structure
Dock with Q12830
Structure
/e3_file/ligand_db/generated/BDB060904/BDB060904.sdf
Basic Properties
Compound ID
E3L060904
Internal ID
BDB060904
Molecular formula
C10H12INO3
Molecular weight
321.114000
Exact mass
320.986191
XLogP
1.7974
TPSA
61.5500
HBA / HBD
3 / 1
Rotatable bonds
4
Heavy atoms / rings
15 / 1
Activity summary
IC50 unknown 13200.00000000 nM
2 activity record(s) imported
InChIKey
ZYWAAIICYAOVPF-UHFFFAOYSA-N
SMILES
CCOc1c(I)cc(C(N)=O)cc1OC
Aliases
BDBM50571298 (preferred) 4-Ethoxy-3-iodo-5-methoxybenzamide (source_name) BDBM50571298 (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:BDBM50571298 medium
; target=Nucleosome-remodeling factor subunit BPTF
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50571298 Open - 10.1016/j.bmcl.2021.128208; 10.1021/acs.jmedchem.1c00721 PMID: 34146702; 34375106
PubChem CID900805 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready CCOc1c(I)cc(C(N)=O)cc1OC keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB060904/BDB060904.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB060904/BDB060904.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB060904/BDB060904.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB060904/BDB060904.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB060904/BDB060904.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Nucleosome-remodeling factor subunit BPTF
Q12830
E3 ligase component 		BindingDB:BDBM50571298 IC50 13200 nM Low DOI: 10.1016/j.bmcl.2021.128208
PMID: 34146702 		1
Nucleosome-remodeling factor subunit BPTF
Q12830
E3 ligase component 		BindingDB:BDBM50571298 Kd 17900 nM Low DOI: 10.1021/acs.jmedchem.1c00721
PMID: 34375106 		1