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3,6-Diaminoacridine-9-carbonitrile

E3L065170
Internal ID: BDB065170
Activity data available Local docking-ready structure
Dock with O15151
Structure
/e3_file/ligand_db/generated/BDB065170/BDB065170.sdf
Basic Properties
Compound ID
E3L065170
Internal ID
BDB065170
Molecular formula
C14H10N4
Molecular weight
234.262000
Exact mass
234.090546
XLogP
2.4241
TPSA
88.7200
HBA / HBD
4 / 2
Rotatable bonds
0
Heavy atoms / rings
18 / 3
Activity summary
IC50 unknown 5100.00000000 nM
1 activity record(s) imported
InChIKey
PUMGFEMNXBLDKD-UHFFFAOYSA-N
SMILES
N#Cc1c2ccc(N)cc2nc2cc(N)ccc12
Aliases
BDBM50646932 (preferred) 3,6-Diaminoacridine-9-carbonitrile (source_name) BDBM50646932 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
O15151 MDM4;MDMX
Protein Mdm4		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM50646932 medium
; target=Protein Mdm4
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50646932 Open - 10.7270/Q2TF032P PMID: 39185935
PubChem CID435038 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready N#Cc1c2ccc(N)cc2nc2cc(N)ccc12 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB065170/BDB065170.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB065170/BDB065170.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB065170/BDB065170.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB065170/BDB065170.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB065170/BDB065170.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Protein Mdm4
O15151
E3 ligase component 		BindingDB:BDBM50646932 IC50 5100 nM Low DOI: 10.7270/Q2TF032P
PMID: 39185935 		1