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(1R)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine

E3L061924
Internal ID: BDB061924
Activity data available Local docking-ready structure
Dock with Q8IVV7
Structure
/e3_file/ligand_db/generated/BDB061924/BDB061924.sdf
Basic Properties
Compound ID
E3L061924
Internal ID
BDB061924
Molecular formula
C15H16N2
Molecular weight
224.307000
Exact mass
224.131349
XLogP
2.5039
TPSA
38.0500
HBA / HBD
2 / 2
Rotatable bonds
1
Heavy atoms / rings
17 / 3
Activity summary
Kd unknown 17000.00000000 nM
2 activity record(s) imported
InChIKey
SJAZZYOCOXNSIX-OAHLLOKOSA-N
SMILES
Nc1cccc2c1CCN[C@@H]2c1ccccc1
Aliases
BDBM50589797 (preferred) (1R)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine (source_name) BDBM50589797 (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:BDBM50589797 medium
; target=Glucose-induced degradation protein 4 homolog
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50589797 Open - 10.7270/Q2JD51RW PMID: 36117290
PubChem CID165180699 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready Nc1cccc2c1CCN[C@@H]2c1ccccc1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB061924/BDB061924.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB061924/BDB061924.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB061924/BDB061924.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB061924/BDB061924.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB061924/BDB061924.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Glucose-induced degradation protein 4 homolog
Q8IVV7
E3 ligase component 		BindingDB:BDBM50589797 IC50 18900 nM Low DOI: 10.7270/Q2JD51RW
PMID: 36117290 		1
Glucose-induced degradation protein 4 homolog
Q8IVV7
E3 ligase component 		BindingDB:BDBM50589797 Kd 17000 nM Low DOI: 10.7270/Q2JD51RW
PMID: 36117290 		1