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2-acetamido-N-(3-nitrophenyl)benzamide

E3L032946
Internal ID: BDB032946
Activity data available Local docking-ready structure
Dock with Q16531
Structure
/e3_file/ligand_db/generated/BDB032946/BDB032946.sdf
Basic Properties
Compound ID
E3L032946
Internal ID
BDB032946
Molecular formula
C15H13N3O4
Molecular weight
299.286000
Exact mass
299.090606
XLogP
2.8055
TPSA
101.3400
HBA / HBD
4 / 2
Rotatable bonds
4
Heavy atoms / rings
22 / 2
Activity summary
Kd < 20000.00000000 nM
1 activity record(s) imported
InChIKey
YHPPISJLFRBZRS-UHFFFAOYSA-N
SMILES
CC(=O)Nc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1
Aliases
BDBM655717 (preferred) 2-acetamido-N-(3-nitrophenyl)benzamide (source_name) BDBM655717 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
Q16531 DDB1;XAP1
DNA damage-binding protein 1		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM655717 medium
; target=DNA damage-binding protein 1
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM655717 Open - 10.7270/Q22N56JB
PubChem CID4625993 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready CC(=O)Nc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB032946/BDB032946.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB032946/BDB032946.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB032946/BDB032946.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB032946/BDB032946.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB032946/BDB032946.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
DNA damage-binding protein 1
Q16531
E3 ligase component 		BindingDB:BDBM655717 Kd <20000 nM Uncertain DOI: 10.7270/Q22N56JB 1