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Tetrazole-5-acetohydrazide

E3L047092
Internal ID: BDB047092
Activity data available Local docking-ready structure
Dock with P29375
Structure
/e3_file/ligand_db/generated/BDB047092/BDB047092.sdf
Basic Properties
Compound ID
E3L047092
Internal ID
BDB047092
Molecular formula
C3H6N6O
Molecular weight
142.122000
Exact mass
142.060309
XLogP
-2.2679
TPSA
109.5800
HBA / HBD
5 / 3
Rotatable bonds
2
Heavy atoms / rings
10 / 1
Activity summary
IC50 unknown 10400.00000000 nM
1 activity record(s) imported
InChIKey
TWKUAKLZOIABHJ-UHFFFAOYSA-N
SMILES
NNC(=O)Cc1nnn[nH]1
Aliases
BDBM50158850 (preferred) Tetrazole-5-acetohydrazide (source_name) BDBM50158850 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
P29375 KDM5A;JARID1A;RBBP2;RBP2
Lysine-specific demethylase 5A		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM50158850 medium
; target=Lysine-specific demethylase 5A
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50158850 Open - 10.1021/acs.jmedchem.5b01758 PMID: 26710088
PubChem CID55281807 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready NNC(=O)Cc1nnn[nH]1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB047092/BDB047092.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB047092/BDB047092.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB047092/BDB047092.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB047092/BDB047092.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB047092/BDB047092.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Lysine-specific demethylase 5A
P29375
E3 ligase component 		BindingDB:BDBM50158850 IC50 10400 nM Low DOI: 10.1021/acs.jmedchem.5b01758
PMID: 26710088 		1