< Back to small molecule database

4-Cyclohexyl-2-phenylquinazoline

E3L002991
Internal ID: BDB002991
Activity data available Local docking-ready structure
Dock with P09936
Structure
/e3_file/ligand_db/generated/BDB002991/BDB002991.sdf
Basic Properties
Compound ID
E3L002991
Internal ID
BDB002991
Molecular formula
C20H20N2
Molecular weight
288.394000
Exact mass
288.162649
XLogP
5.3445
TPSA
25.7800
HBA / HBD
2 / 0
Rotatable bonds
2
Heavy atoms / rings
22 / 4
Activity summary
IC50 unknown 75000.00000000 nM
1 activity record(s) imported
InChIKey
PZXJVBUHBNWQIT-UHFFFAOYSA-N
SMILES
c1ccc(-c2nc(C3CCCCC3)c3ccccc3n2)cc1
Aliases
BDBM53421 (preferred) 4-Cyclohexyl-2-phenylquinazoline (source_name) BDBM53421 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
P09936 UCHL1
Ubiquitin carboxyl-terminal hydrolase isozyme L1		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM53421 medium
; target=Ubiquitin carboxyl-terminal hydrolase isozyme L1
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM53421 Open - 10.1038/nchembio.2007.43 PMID: 17948018
PubChem CID23640938 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready c1ccc(-c2nc(C3CCCCC3)c3ccccc3n2)cc1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB002991/BDB002991.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB002991/BDB002991.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB002991/BDB002991.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB002991/BDB002991.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB002991/BDB002991.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Ubiquitin carboxyl-terminal hydrolase isozyme L1
P09936
E3 ligase component 		BindingDB:BDBM53421 IC50 75000 nM Low DOI: 10.1038/nchembio.2007.43
PMID: 17948018 		1