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N,N'-Di-4-pyridinylurea

E3L002262
Internal ID: BDB002262
Activity data available Local docking-ready structure
Dock with Q00987
Structure
/e3_file/ligand_db/generated/BDB002262/BDB002262.sdf
Basic Properties
Compound ID
E3L002262
Internal ID
BDB002262
Molecular formula
C11H10N4O
Molecular weight
214.228000
Exact mass
214.085461
XLogP
2.1206
TPSA
66.9100
HBA / HBD
3 / 2
Rotatable bonds
2
Heavy atoms / rings
16 / 2
Activity summary
EC50 unknown 8860.00000000 nM
1 activity record(s) imported
InChIKey
QRRGJASIECDXQW-UHFFFAOYSA-N
SMILES
O=C(Nc1ccncc1)Nc1ccncc1
Aliases
BDBM43469 (preferred) N,N'-Di-4-pyridinylurea (source_name) BDBM43469 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
Q00987 MDM2
E3 ubiquitin-protein ligase Mdm2		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM43469 medium
; target=E3 ubiquitin-protein ligase Mdm2
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM43469 Open - 10.7270/Q21J984Z
PubChem CID1082704 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready O=C(Nc1ccncc1)Nc1ccncc1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB002262/BDB002262.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB002262/BDB002262.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB002262/BDB002262.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB002262/BDB002262.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB002262/BDB002262.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
E3 ubiquitin-protein ligase Mdm2
Q00987
E3 ligase component 		BindingDB:BDBM43469 EC50 8860 nM Low DOI: 10.7270/Q21J984Z 1