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1,2,3,4-Tetrahydro-6-methoxy-1-phenylnaphthalene

E3L061925
Internal ID: BDB061925
Activity data available Local docking-ready structure
Dock with Q8IVV7
Structure
/e3_file/ligand_db/generated/BDB061925/BDB061925.sdf
Basic Properties
Compound ID
E3L061925
Internal ID
BDB061925
Molecular formula
C17H18O
Molecular weight
238.330000
Exact mass
238.135765
XLogP
4.1634
TPSA
9.2300
HBA / HBD
1 / 0
Rotatable bonds
2
Heavy atoms / rings
18 / 3
Activity summary
IC50 > 250000.00000000 nM
1 activity record(s) imported
InChIKey
ZFOMLKXVQFNZPD-UHFFFAOYSA-N
SMILES
COc1ccc2c(c1)CCCC2c1ccccc1
Aliases
BDBM50589798 (preferred) 1,2,3,4-Tetrahydro-6-methoxy-1-phenylnaphthalene (source_name) BDBM50589798 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
Q8IVV7 GID4;C17orf39;VID24
Glucose-induced degradation protein 4 homolog		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM50589798 medium
; target=Glucose-induced degradation protein 4 homolog
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50589798 Open - 10.7270/Q2JD51RW PMID: 36117290
PubChem CID10977504 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready COc1ccc2c(c1)CCCC2c1ccccc1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB061925/BDB061925.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB061925/BDB061925.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB061925/BDB061925.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB061925/BDB061925.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB061925/BDB061925.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Glucose-induced degradation protein 4 homolog
Q8IVV7
E3 ligase component 		BindingDB:BDBM50589798 IC50 >250000 nM Low DOI: 10.7270/Q2JD51RW
PMID: 36117290 		1