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BDBM50382116

E3L054626
Internal ID: BDB054626
Activity data available Local docking-ready structure
Dock with O15151
Structure
/e3_file/ligand_db/generated/BDB054626/BDB054626.sdf
Basic Properties
Compound ID
E3L054626
Internal ID
BDB054626
Molecular formula
C24H17Cl2N3
Molecular weight
418.327000
Exact mass
417.079953
XLogP
7.0535
TPSA
33.6100
HBA / HBD
1 / 1
Rotatable bonds
4
Heavy atoms / rings
29 / 5
Activity summary
IC50 unknown 22000.00000000 nM
1 activity record(s) imported
InChIKey
FNCHBNHNYWOHDO-UHFFFAOYSA-N
SMILES
Clc1ccc(Cn2cnc(-c3ccccc3)c2-c2c[nH]c3cc(Cl)ccc23)cc1
Aliases
BDBM50382116 (preferred) 6-Chloro-3-[3-(4-chloro-benzyl)-5-phenyl-3h-imidazol-4-yl]-1h-indole (source_name) BDBM50382116 (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:BDBM50382116 medium
; target=Protein Mdm4
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50382116 Open - 10.1016/j.bmcl.2012.03.083 PMID: 22507962
PubChem CID25105771 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready Clc1ccc(Cn2cnc(-c3ccccc3)c2-c2c[nH]c3cc(Cl)ccc23)cc1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB054626/BDB054626.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB054626/BDB054626.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB054626/BDB054626.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB054626/BDB054626.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB054626/BDB054626.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Protein Mdm4
O15151
E3 ligase component 		BindingDB:BDBM50382116 IC50 22000 nM Low DOI: 10.1016/j.bmcl.2012.03.083
PMID: 22507962 		1