< Back to small molecule database

N-methyl-3-(2-oxo-1,3-dihydroindol-6-yl)benzamide

E3L029379
Internal ID: BDB029379
Activity data available Local docking-ready structure
Dock with Q96SW2
Structure
/e3_file/ligand_db/generated/BDB029379/BDB029379.sdf
Basic Properties
Compound ID
E3L029379
Internal ID
BDB029379
Molecular formula
C16H14N2O2
Molecular weight
266.300000
Exact mass
266.105528
XLogP
2.2078
TPSA
58.2000
HBA / HBD
2 / 2
Rotatable bonds
2
Heavy atoms / rings
20 / 3
Activity summary
IC50 unknown 50500.00000000 nM
1 activity record(s) imported
InChIKey
MNZQFDPYOZKRHB-UHFFFAOYSA-N
SMILES
CNC(=O)c1cccc(-c2ccc3c(c2)NC(=O)C3)c1
Aliases
BDBM588306 (preferred) N-methyl-3-(2-oxo-1,3-dihydroindol-6-yl)benzamide (source_name) BDBM588306 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
Q96SW2 CRBN;AD-006
Protein cereblon		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM588306 medium
; target=Protein cereblon
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM588306 Open - 10.7270/Q2H41W8C
PubChem CID156220587 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready CNC(=O)c1cccc(-c2ccc3c(c2)NC(=O)C3)c1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB029379/BDB029379.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB029379/BDB029379.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB029379/BDB029379.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB029379/BDB029379.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB029379/BDB029379.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Protein cereblon
Q96SW2
E3 ligase component 		BindingDB:BDBM588306 IC50 50500 nM Low DOI: 10.7270/Q2H41W8C 1