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1-(4-Methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline

E3L043942
Internal ID: BDB043942
Activity data available Local docking-ready structure
Dock with Q8IVV7
Structure
/e3_file/ligand_db/generated/BDB043942/BDB043942.sdf
Basic Properties
Compound ID
E3L043942
Internal ID
BDB043942
Molecular formula
C16H17NO
Molecular weight
239.318000
Exact mass
239.131014
XLogP
2.9303
TPSA
21.2600
HBA / HBD
2 / 1
Rotatable bonds
2
Heavy atoms / rings
18 / 3
Activity summary
IC50 unknown 89800.00000000 nM
1 activity record(s) imported
InChIKey
FSFZUYODRIULLG-UHFFFAOYSA-N
SMILES
COc1ccc(C2NCCc3ccccc32)cc1
Aliases
BDBM50017043 (preferred) 1-(4-Methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline (source_name) BDBM50017043 (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:BDBM50017043 medium
; target=Glucose-induced degradation protein 4 homolog
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50017043 Open - 10.7270/Q2JD51RW PMID: 36117290
PubChem CID12267903 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready COc1ccc(C2NCCc3ccccc32)cc1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB043942/BDB043942.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB043942/BDB043942.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB043942/BDB043942.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB043942/BDB043942.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB043942/BDB043942.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Glucose-induced degradation protein 4 homolog
Q8IVV7
E3 ligase component 		BindingDB:BDBM50017043 IC50 89800 nM Low DOI: 10.7270/Q2JD51RW
PMID: 36117290 		1