< Back to small molecule database

N'-(2-aminophenyl)-2-benzamido-N-phenylheptanediamide

E3L023425
Internal ID: BDB023425
Activity data available Local docking-ready structure
Dock with Q09472
Structure
/e3_file/ligand_db/generated/BDB023425/BDB023425.sdf
Basic Properties
Compound ID
E3L023425
Internal ID
BDB023425
Molecular formula
C26H28N4O3
Molecular weight
444.535000
Exact mass
444.216141
XLogP
4.2050
TPSA
113.3200
HBA / HBD
4 / 4
Rotatable bonds
10
Heavy atoms / rings
33 / 3
Activity summary
IC50 unknown 700.00000000 nM
1 activity record(s) imported
InChIKey
OLJJLXQCZCJXKU-UHFFFAOYSA-N
SMILES
Nc1ccccc1NC(=O)CCCCC(NC(=O)c1ccccc1)C(=O)Nc1ccccc1
Aliases
BDBM534762 (preferred) N'-(2-aminophenyl)-2-benzamido-N-phenylheptanediamide (source_name) BDBM534762 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
Q09472 EP300;P300
Histone acetyltransferase p300		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM534762 medium
; target=Histone acetyltransferase p300
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM534762 Open - 10.7270/Q232003K
PubChem CID139377818 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready Nc1ccccc1NC(=O)CCCCC(NC(=O)c1ccccc1)C(=O)Nc1ccccc1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB023425/BDB023425.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB023425/BDB023425.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB023425/BDB023425.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB023425/BDB023425.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB023425/BDB023425.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Histone acetyltransferase p300
Q09472
E3 ligase component 		BindingDB:BDBM534762 IC50 700 nM Moderate DOI: 10.7270/Q232003K 1