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2-Hydrazinylpyrimidine-4-carboxylic acid

E3L047125
Internal ID: BDB047125
Activity data available Local docking-ready structure
Dock with P29375
Structure
/e3_file/ligand_db/generated/BDB047125/BDB047125.sdf
Basic Properties
Compound ID
E3L047125
Internal ID
BDB047125
Molecular formula
C5H6N4O2
Molecular weight
154.129000
Exact mass
154.049075
XLogP
-0.5396
TPSA
101.1300
HBA / HBD
5 / 3
Rotatable bonds
2
Heavy atoms / rings
11 / 1
Activity summary
IC50 unknown 220.00000000 nM
1 activity record(s) imported
InChIKey
AVMDBCMWSSIKTF-UHFFFAOYSA-N
SMILES
NNc1nccc(C(=O)O)n1
Aliases
BDBM50163389 (preferred) 2-Hydrazinylpyrimidine-4-carboxylic acid (source_name) BDBM50163389 (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:BDBM50163389 medium
; target=Lysine-specific demethylase 5A
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50163389 Open - 10.1016/j.bmcl.2016.03.048 PMID: 27020306
PubChem CID83672127 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready NNc1nccc(C(=O)O)n1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB047125/BDB047125.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB047125/BDB047125.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB047125/BDB047125.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB047125/BDB047125.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB047125/BDB047125.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Lysine-specific demethylase 5A
P29375
E3 ligase component 		BindingDB:BDBM50163389 IC50 220 nM Moderate DOI: 10.1016/j.bmcl.2016.03.048
PMID: 27020306 		1