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Cbz-Arg-Trp-Phe-NHtBu

E3L052692
Internal ID: BDB052692
Activity data available Local docking-ready structure
Dock with O15151
Structure
/e3_file/ligand_db/generated/BDB052692/BDB052692.sdf
Basic Properties
Compound ID
E3L052692
Internal ID
BDB052692
Molecular formula
C38H48N8O5
Molecular weight
696.853000
Exact mass
696.374767
XLogP
3.1860
TPSA
205.8200
HBA / HBD
6 / 7
Rotatable bonds
16
Heavy atoms / rings
51 / 4
Activity summary
IC50 unknown 348000.00000000 nM
1 activity record(s) imported
InChIKey
FZGFXRIDZGYWIK-CPCREDONSA-N
SMILES
CC(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)OCc1ccccc1
Aliases
BDBM50327212 (preferred) Cbz-Arg-Trp-Phe-NHtBu (source_name) BDBM50327212 (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:BDBM50327212 medium
; target=Protein Mdm4
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50327212 Open - 10.1016/j.bmc.2010.06.053 PMID: 20638853
PubChem CID52945081 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready CC(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)OCc1ccccc1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB052692/BDB052692.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB052692/BDB052692.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB052692/BDB052692.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB052692/BDB052692.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB052692/BDB052692.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Protein Mdm4
O15151
E3 ligase component 		BindingDB:BDBM50327212 IC50 348000 nM Low DOI: 10.1016/j.bmc.2010.06.053
PMID: 20638853 		1