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8-Hydroxy-5-quinolinecarboxylic acid

E3L055041
Internal ID: BDB055041
Activity data available Local docking-ready structure
Dock with P41229
Structure
/e3_file/ligand_db/generated/BDB055041/BDB055041.sdf
Basic Properties
Compound ID
E3L055041
Internal ID
BDB055041
Molecular formula
C10H7NO3
Molecular weight
189.170000
Exact mass
189.042593
XLogP
1.6386
TPSA
70.4200
HBA / HBD
3 / 2
Rotatable bonds
1
Heavy atoms / rings
14 / 2
Activity summary
IC50 unknown 200.00000000 nM
3 activity record(s) imported
InChIKey
JGRPKOGHYBAVMW-UHFFFAOYSA-N
SMILES
O=C(O)c1ccc(O)c2ncccc12
Aliases
BDBM50396018 (preferred) 8-Hydroxy-5-quinolinecarboxylic acid (source_name) BDBM50396018 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
P41229 KDM5C;DXS1272E;JARID1C;SMCX;XE169
Lysine-specific demethylase 5C		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM50396018 medium
; target=Lysine-specific demethylase 5C
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50396018 Open - 10.1021/jm4012802; 10.1039/C4MD00291A; 10.7270/Q2BR8X83 PMID: 24325601; 26682034; 34762429
PubChem CID459617 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready O=C(O)c1ccc(O)c2ncccc12 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB055041/BDB055041.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB055041/BDB055041.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB055041/BDB055041.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB055041/BDB055041.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB055041/BDB055041.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Lysine-specific demethylase 5C
P41229
E3 ligase component 		BindingDB:BDBM50396018 IC50 25119 nM Low DOI: 10.1039/C4MD00291A
PMID: 26682034 		1
Lysine-specific demethylase 5C
P41229
E3 ligase component 		BindingDB:BDBM50396018 IC50 200 nM Moderate DOI: 10.7270/Q2BR8X83
PMID: 34762429 		1
Lysine-specific demethylase 5C
P41229
E3 ligase component 		BindingDB:BDBM50396018 IC50 25000 nM Low DOI: 10.1021/jm4012802
PMID: 24325601 		1