< Back to small molecule database

1-Amino-4-naphthol

E3L002134
Internal ID: BDB002134
Activity data available Local docking-ready structure
Dock with Q09472 Dock with Q92831
Structure
/e3_file/ligand_db/generated/BDB002134/BDB002134.sdf
Basic Properties
Compound ID
E3L002134
Internal ID
BDB002134
Molecular formula
C10H9NO
Molecular weight
159.188000
Exact mass
159.068414
XLogP
2.1276
TPSA
46.2500
HBA / HBD
2 / 2
Rotatable bonds
0
Heavy atoms / rings
12 / 2
Activity summary
IC50 unknown 1400.00000000 nM
2 activity record(s) imported
InChIKey
ABJQKDJOYSQVFX-UHFFFAOYSA-N
SMILES
Nc1ccc(O)c2ccccc12
Aliases
BDBM43339 (preferred) 1-Amino-4-naphthol (source_name) BDBM43339 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
Q09472 EP300;P300
Histone acetyltransferase p300		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM43339 medium
; target=Histone acetyltransferase p300
Q92831 KAT2B;PCAF
Histone acetyltransferase KAT2B		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM43339 medium
; target=Histone acetyltransferase KAT2B
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM43339 Open - 10.1016/j.ejmech.2017.05.015 PMID: 28527406
PubChem CID17815 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready Nc1ccc(O)c2ccccc12 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB002134/BDB002134.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB002134/BDB002134.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB002134/BDB002134.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB002134/BDB002134.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB002134/BDB002134.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Histone acetyltransferase KAT2B
Q92831
E3 ligase component 		BindingDB:BDBM43339 IC50 3600 nM Low DOI: 10.1016/j.ejmech.2017.05.015
PMID: 28527406 		1
Histone acetyltransferase p300
Q09472
E3 ligase component 		BindingDB:BDBM43339 IC50 1400 nM Low DOI: 10.1016/j.ejmech.2017.05.015
PMID: 28527406 		1