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BDBM43359

E3L002152
Internal ID: BDB002152
Activity data available Local docking-ready structure
Dock with Q00987
Structure
/e3_file/ligand_db/generated/BDB002152/BDB002152.sdf
Basic Properties
Compound ID
E3L002152
Internal ID
BDB002152
Molecular formula
C15H9BrClN3O2
Molecular weight
378.613000
Exact mass
376.956666
XLogP
4.4048
TPSA
68.0200
HBA / HBD
4 / 1
Rotatable bonds
3
Heavy atoms / rings
22 / 3
Activity summary
EC50 unknown 12750.00000000 nM
1 activity record(s) imported
InChIKey
ONZZORAJENSXMQ-UHFFFAOYSA-N
SMILES
O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1Br
Aliases
BDBM43359 (preferred) 2-bromo-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide (source_name) BDBM43359 (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:BDBM43359 medium
; target=E3 ubiquitin-protein ligase Mdm2
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM43359 Open - 10.7270/Q21J984Z
PubChem CID3315017 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1Br keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB002152/BDB002152.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB002152/BDB002152.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB002152/BDB002152.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB002152/BDB002152.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB002152/BDB002152.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
E3 ubiquitin-protein ligase Mdm2
Q00987
E3 ligase component 		BindingDB:BDBM43359 EC50 12750 nM Low DOI: 10.7270/Q21J984Z 1