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(5-Phenyl-1,3,4-oxadiazol-2-yl)-thiophen-2-ylmethanol

E3L002266
Internal ID: BDB002266
Activity data available Local docking-ready structure
Dock with Q00987
Structure
/e3_file/ligand_db/generated/BDB002266/BDB002266.sdf
Basic Properties
Compound ID
E3L002266
Internal ID
BDB002266
Molecular formula
C13H10N2O2S
Molecular weight
258.302000
Exact mass
258.046299
XLogP
2.8798
TPSA
59.1500
HBA / HBD
5 / 1
Rotatable bonds
3
Heavy atoms / rings
18 / 3
Activity summary
EC50 unknown 441430.00000000 nM
1 activity record(s) imported
InChIKey
OTYYVUDRHQDNBY-UHFFFAOYSA-N
SMILES
OC(c1nnc(-c2ccccc2)o1)c1cccs1
Aliases
BDBM43473 (preferred) (5-Phenyl-1,3,4-oxadiazol-2-yl)-thiophen-2-ylmethanol (source_name) BDBM43473 (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:BDBM43473 medium
; target=E3 ubiquitin-protein ligase Mdm2
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM43473 Open - 10.7270/Q21J984Z
PubChem CID4964129 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready OC(c1nnc(-c2ccccc2)o1)c1cccs1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB002266/BDB002266.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB002266/BDB002266.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB002266/BDB002266.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB002266/BDB002266.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB002266/BDB002266.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
E3 ubiquitin-protein ligase Mdm2
Q00987
E3 ligase component 		BindingDB:BDBM43473 EC50 441430 nM Low DOI: 10.7270/Q21J984Z 1