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Ethyl 2-(5-methyltetrazol-1-yl)acetate

E3L002237
Internal ID: BDB002237
Activity data available Local docking-ready structure
Dock with Q00987
Structure
/e3_file/ligand_db/generated/BDB002237/BDB002237.sdf
Basic Properties
Compound ID
E3L002237
Internal ID
BDB002237
Molecular formula
C6H10N4O2
Molecular weight
170.172000
Exact mass
170.080376
XLogP
-0.4554
TPSA
69.9000
HBA / HBD
5 / 0
Rotatable bonds
3
Heavy atoms / rings
12 / 1
Activity summary
EC50 unknown 827220.00000000 nM
1 activity record(s) imported
InChIKey
JEHJIBCHVCJCMG-UHFFFAOYSA-N
SMILES
CCOC(=O)Cn1nnnc1C
Aliases
BDBM43444 (preferred) Ethyl 2-(5-methyltetrazol-1-yl)acetate (source_name) BDBM43444 (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:BDBM43444 medium
; target=E3 ubiquitin-protein ligase Mdm2
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM43444 Open - 10.7270/Q21J984Z
PubChem CID1505264 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready CCOC(=O)Cn1nnnc1C keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB002237/BDB002237.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB002237/BDB002237.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB002237/BDB002237.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB002237/BDB002237.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB002237/BDB002237.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
E3 ubiquitin-protein ligase Mdm2
Q00987
E3 ligase component 		BindingDB:BDBM43444 EC50 827220 nM Low DOI: 10.7270/Q21J984Z 1