< Back to small molecule database

6-Amino-1-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

E3L049466
Internal ID: BDB049466
Activity data available Local docking-ready structure
Dock with Q12830
Structure
/e3_file/ligand_db/generated/BDB049466/BDB049466.sdf
Basic Properties
Compound ID
E3L049466
Internal ID
BDB049466
Molecular formula
C6H9N3O2
Molecular weight
155.157000
Exact mass
155.069477
XLogP
-0.8613
TPSA
80.8800
HBA / HBD
3 / 2
Rotatable bonds
1
Heavy atoms / rings
11 / 1
Activity summary
Kd unknown 6800000.00000000 nM
1 activity record(s) imported
InChIKey
QHEMDIZENXAVRQ-UHFFFAOYSA-N
SMILES
CCn1c(N)cc(=O)[nH]c1=O
Aliases
BDBM50239563 (preferred) 6-Amino-1-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione (source_name) BDBM50239563 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
Q12830 BPTF;FAC1;FALZ
Nucleosome-remodeling factor subunit BPTF		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM50239563 medium
; target=Nucleosome-remodeling factor subunit BPTF
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50239563 Open - 10.1021/acs.jmedchem.6b01336 PMID: 28535045
PubChem CID853899 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready CCn1c(N)cc(=O)[nH]c1=O keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB049466/BDB049466.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB049466/BDB049466.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB049466/BDB049466.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB049466/BDB049466.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB049466/BDB049466.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Nucleosome-remodeling factor subunit BPTF
Q12830
E3 ligase component 		BindingDB:BDBM50239563 Kd 6800000 nM Low DOI: 10.1021/acs.jmedchem.6b01336
PMID: 28535045 		1