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4-Formamido-3-hydroxybenzoic acid

E3L059142
Internal ID: BDB059142
Activity data available Local docking-ready structure
Dock with P29375
Structure
/e3_file/ligand_db/generated/BDB059142/BDB059142.sdf
Basic Properties
Compound ID
E3L059142
Internal ID
BDB059142
Molecular formula
C8H7NO4
Molecular weight
181.147000
Exact mass
181.037508
XLogP
0.6587
TPSA
86.6300
HBA / HBD
3 / 3
Rotatable bonds
3
Heavy atoms / rings
13 / 1
Activity summary
IC50 unknown 46000.00000000 nM
1 activity record(s) imported
InChIKey
SXPILDKUHXARLZ-UHFFFAOYSA-N
SMILES
O=CNc1ccc(C(=O)O)cc1O
Aliases
BDBM50523909 (preferred) 4-Formamido-3-hydroxybenzoic acid (source_name) BDBM50523909 (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:BDBM50523909 medium
; target=Lysine-specific demethylase 5A
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50523909 Open - 10.1016/j.bmcl.2019.03.028 PMID: 30928196
PubChem CID56997255 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready O=CNc1ccc(C(=O)O)cc1O keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB059142/BDB059142.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB059142/BDB059142.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB059142/BDB059142.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB059142/BDB059142.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB059142/BDB059142.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Lysine-specific demethylase 5A
P29375
E3 ligase component 		BindingDB:BDBM50523909 IC50 46000 nM Low DOI: 10.1016/j.bmcl.2019.03.028
PMID: 30928196 		1