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Glutarimide, 2-methyl-2-phenyl-

E3L020187
Internal ID: BDB020187
Activity data available Local docking-ready structure
Dock with Q16531 Dock with Q96SW2
Structure
/e3_file/ligand_db/generated/BDB020187/BDB020187.sdf
Basic Properties
Compound ID
E3L020187
Internal ID
BDB020187
Molecular formula
C12H13NO2
Molecular weight
203.241000
Exact mass
203.094629
XLogP
1.3809
TPSA
46.1700
HBA / HBD
2 / 1
Rotatable bonds
1
Heavy atoms / rings
15 / 2
Activity summary
Kd > 30000.00000000 nM
2 activity record(s) imported
InChIKey
MCJWXKGQUZKDIC-UHFFFAOYSA-N
SMILES
CC1(c2ccccc2)CCC(=O)NC1=O
Aliases
BDBM475097 (preferred) Glutarimide, 2-methyl-2-phenyl- (source_name) BDBM475097 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
Q16531 DDB1;XAP1
DNA damage-binding protein 1		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM475097 medium
; target=DNA damage-binding protein 1
Q96SW2 CRBN;AD-006
Protein cereblon		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM475097 medium
; target=DNA damage-binding protein 1
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM475097 Open - 10.7270/Q2P84FZ1
PubChem CID203309 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready CC1(c2ccccc2)CCC(=O)NC1=O keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB020187/BDB020187.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB020187/BDB020187.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB020187/BDB020187.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB020187/BDB020187.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB020187/BDB020187.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
DNA damage-binding protein 1
Q16531
E3 ligase component 		BindingDB:BDBM475097 Kd >30000 nM Low DOI: 10.7270/Q2P84FZ1 2 source records