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N8,N8,3-Trimethyl-2,8-phenazinediamine

E3L002982
Internal ID: BDB002982
Activity data available Local docking-ready structure
Dock with O14727
Structure
/e3_file/ligand_db/generated/BDB002982/BDB002982.sdf
Basic Properties
Compound ID
E3L002982
Internal ID
BDB002982
Molecular formula
C15H16N4
Molecular weight
252.321000
Exact mass
252.137497
XLogP
2.7396
TPSA
55.0400
HBA / HBD
4 / 1
Rotatable bonds
1
Heavy atoms / rings
19 / 3
Activity summary
IC50 unknown 34000.00000000 nM
2 activity record(s) imported
InChIKey
GLVRJEJEXGVOMJ-UHFFFAOYSA-N
SMILES
Cc1cc2nc3ccc(N(C)C)cc3nc2cc1N
Aliases
BDBM53017 (preferred) N8,N8,3-Trimethyl-2,8-phenazinediamine (source_name) BDBM53017 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
O14727 APAF1;KIAA0413
Apoptotic protease-activating factor 1		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM53017 medium
; target=Apoptotic protease-activating factor 1
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM53017 Open - 10.7270/Q2JS9NZB; 10.7270/Q2F18X8S
PubChem CID11106 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready Cc1cc2nc3ccc(N(C)C)cc3nc2cc1N keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB002982/BDB002982.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB002982/BDB002982.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB002982/BDB002982.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB002982/BDB002982.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB002982/BDB002982.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Apoptotic protease-activating factor 1
O14727
E3 ligase component 		BindingDB:BDBM53017 IC50 34000 nM Low DOI: 10.7270/Q2JS9NZB 1
Apoptotic protease-activating factor 1
O14727
E3 ligase component 		BindingDB:BDBM53017 IC50 >100000 nM Low DOI: 10.7270/Q2F18X8S 1