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BDBM43357

E3L002150
Internal ID: BDB002150
Activity data available Local docking-ready structure
Dock with Q00987
Structure
/e3_file/ligand_db/generated/BDB002150/BDB002150.sdf
Basic Properties
Compound ID
E3L002150
Internal ID
BDB002150
Molecular formula
C12H10ClN3O
Molecular weight
247.685000
Exact mass
247.051240
XLogP
2.9327
TPSA
53.0600
HBA / HBD
4 / 0
Rotatable bonds
2
Heavy atoms / rings
17 / 2
Activity summary
EC50 unknown 2488700.00000000 nM
1 activity record(s) imported
InChIKey
HFRAYEALNRDZAA-UHFFFAOYSA-N
SMILES
CN(C)c1oc(-c2ccccc2Cl)nc1C#N
Aliases
BDBM43357 (preferred) 2-(2-Chlorophenyl)-5-(dimethylamino)oxazole-4-carbonitrile (source_name) BDBM43357 (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:BDBM43357 medium
; target=E3 ubiquitin-protein ligase Mdm2
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM43357 Open - 10.7270/Q21J984Z
PubChem CID891940 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready CN(C)c1oc(-c2ccccc2Cl)nc1C#N keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB002150/BDB002150.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB002150/BDB002150.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB002150/BDB002150.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB002150/BDB002150.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB002150/BDB002150.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
E3 ubiquitin-protein ligase Mdm2
Q00987
E3 ligase component 		BindingDB:BDBM43357 EC50 2488700 nM Low DOI: 10.7270/Q21J984Z 1