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BDBM43471

E3L002264
Internal ID: BDB002264
Activity data available Local docking-ready structure
Dock with Q00987
Structure
/e3_file/ligand_db/generated/BDB002264/BDB002264.sdf
Basic Properties
Compound ID
E3L002264
Internal ID
BDB002264
Molecular formula
C14H18N4O4S
Molecular weight
338.389000
Exact mass
338.104876
XLogP
1.0676
TPSA
104.3900
HBA / HBD
5 / 2
Rotatable bonds
7
Heavy atoms / rings
23 / 2
Activity summary
EC50 unknown 25000.00000000 nM
1 activity record(s) imported
InChIKey
SXJOGNYDYHHABL-UHFFFAOYSA-N
SMILES
CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2c[nH]cn2)cc1
Aliases
BDBM43471 (preferred) 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-p-phenetyl-acetamide (source_name) BDBM43471 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
Q00987 MDM2
E3 ubiquitin-protein ligase Mdm2		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM43471 medium
; target=E3 ubiquitin-protein ligase Mdm2
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM43471 Open - 10.7270/Q21J984Z
PubChem CID16011827 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2c[nH]cn2)cc1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB002264/BDB002264.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB002264/BDB002264.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB002264/BDB002264.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB002264/BDB002264.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB002264/BDB002264.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
E3 ubiquitin-protein ligase Mdm2
Q00987
E3 ligase component 		BindingDB:BDBM43471 EC50 25000 nM Low DOI: 10.7270/Q21J984Z 1