< Back to small molecule database

2,3-Diaminophenazine

E3L002952
Internal ID: BDB002952
Activity data available Local docking-ready structure
Dock with O14727
Structure
/e3_file/ligand_db/generated/BDB002952/BDB002952.sdf
Basic Properties
Compound ID
E3L002952
Internal ID
BDB002952
Molecular formula
C12H10N4
Molecular weight
210.240000
Exact mass
210.090546
XLogP
1.9474
TPSA
77.8200
HBA / HBD
4 / 2
Rotatable bonds
0
Heavy atoms / rings
16 / 3
Activity summary
IC50 > 100000.00000000 nM
2 activity record(s) imported
InChIKey
VZPGINJWPPHRLS-UHFFFAOYSA-N
SMILES
Nc1cc2nc3ccccc3nc2cc1N
Aliases
BDBM51287 (preferred) 2,3-Diaminophenazine (source_name) BDBM51287 (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:BDBM51287 medium
; target=Apoptotic protease-activating factor 1
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM51287 Open - 10.7270/Q2JS9NZB; 10.7270/Q2F18X8S
PubChem CID410099 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready Nc1cc2nc3ccccc3nc2cc1N keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB002952/BDB002952.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB002952/BDB002952.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB002952/BDB002952.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB002952/BDB002952.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB002952/BDB002952.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Apoptotic protease-activating factor 1
O14727
E3 ligase component 		BindingDB:BDBM51287 IC50 >100000 nM Low DOI: 10.7270/Q2JS9NZB 1
Apoptotic protease-activating factor 1
O14727
E3 ligase component 		BindingDB:BDBM51287 IC50 >100000 nM Low DOI: 10.7270/Q2F18X8S 1