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1-Ethenylsulfonyl-4-(4-ethenylsulfonylphenoxy)benzene

E3L001960
Internal ID: BDB001960
Activity data available Local docking-ready structure
Dock with Q00987
Structure
/e3_file/ligand_db/generated/BDB001960/BDB001960.sdf
Basic Properties
Compound ID
E3L001960
Internal ID
BDB001960
Molecular formula
C16H14O5S2
Molecular weight
350.417000
Exact mass
350.028266
XLogP
3.3133
TPSA
77.5100
HBA / HBD
5 / 0
Rotatable bonds
6
Heavy atoms / rings
23 / 2
Activity summary
EC50 unknown 1500.00000000 nM
3 activity record(s) imported
InChIKey
DIBWMHKTLMPOSU-UHFFFAOYSA-N
SMILES
C=CS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)C=C)cc2)cc1
Aliases
BDBM36838 (preferred) 1-Ethenylsulfonyl-4-(4-ethenylsulfonylphenoxy)benzene (source_name) BDBM36838 (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:BDBM36838 medium
; target=E3 ubiquitin-protein ligase Mdm2
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM36838 Open - 10.7270/Q21J984Z; 10.7270/Q2KW5DG0; 10.7270/Q2G73C3D
PubChem CID647878 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready C=CS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)C=C)cc2)cc1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB001960/BDB001960.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB001960/BDB001960.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB001960/BDB001960.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB001960/BDB001960.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB001960/BDB001960.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
E3 ubiquitin-protein ligase Mdm2
Q00987
E3 ligase component 		BindingDB:BDBM36838 EC50 1500 nM Low DOI: 10.7270/Q2KW5DG0 1
E3 ubiquitin-protein ligase Mdm2
Q00987
E3 ligase component 		BindingDB:BDBM36838 EC50 2640 nM Low DOI: 10.7270/Q21J984Z 1
E3 ubiquitin-protein ligase Mdm2
Q00987
E3 ligase component 		BindingDB:BDBM36838 EC50 3040 nM Low DOI: 10.7270/Q2G73C3D 1