< Back to small molecule database

2-acetamido-N-(4-bromophenyl)benzamide

E3L032886
Internal ID: BDB032886
Activity data available Local docking-ready structure
Dock with Q16531
Structure
/e3_file/ligand_db/generated/BDB032886/BDB032886.sdf
Basic Properties
Compound ID
E3L032886
Internal ID
BDB032886
Molecular formula
C15H13BrN2O2
Molecular weight
333.185000
Exact mass
332.016040
XLogP
3.6598
TPSA
58.2000
HBA / HBD
2 / 2
Rotatable bonds
3
Heavy atoms / rings
20 / 2
Activity summary
Kd unknown 60000.00000000 nM
1 activity record(s) imported
InChIKey
VTNASIMNMADXPS-UHFFFAOYSA-N
SMILES
CC(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1
Aliases
BDBM655657 (preferred) 2-acetamido-N-(4-bromophenyl)benzamide (source_name) BDBM655657 (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:BDBM655657 medium
; target=DNA damage-binding protein 1
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM655657 Open - 10.7270/Q22N56JB
PubChem CID3353313 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready CC(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB032886/BDB032886.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB032886/BDB032886.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB032886/BDB032886.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB032886/BDB032886.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB032886/BDB032886.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
DNA damage-binding protein 1
Q16531
E3 ligase component 		BindingDB:BDBM655657 Kd 60000 nM Low DOI: 10.7270/Q22N56JB 1