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4-phenyl-4H,5H,6H,7H-thieno(3,2-c)pyridine

E3L061913
Internal ID: BDB061913
Activity data available Local docking-ready structure
Dock with Q8IVV7
Structure
/e3_file/ligand_db/generated/BDB061913/BDB061913.sdf
Basic Properties
Compound ID
E3L061913
Internal ID
BDB061913
Molecular formula
C13H13NS
Molecular weight
215.321000
Exact mass
215.076870
XLogP
2.9832
TPSA
12.0300
HBA / HBD
2 / 1
Rotatable bonds
1
Heavy atoms / rings
15 / 3
Activity summary
IC50 > 250000.00000000 nM
1 activity record(s) imported
InChIKey
BKXOJOFWZSFANH-UHFFFAOYSA-N
SMILES
c1ccc(C2NCCc3sccc32)cc1
Aliases
BDBM50589786 (preferred) 4-phenyl-4H,5H,6H,7H-thieno(3,2-c)pyridine (source_name) BDBM50589786 (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:BDBM50589786 medium
; target=Glucose-induced degradation protein 4 homolog
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50589786 Open - 10.7270/Q2JD51RW PMID: 36117290
PubChem CID6485298 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready c1ccc(C2NCCc3sccc32)cc1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB061913/BDB061913.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB061913/BDB061913.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB061913/BDB061913.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB061913/BDB061913.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB061913/BDB061913.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Glucose-induced degradation protein 4 homolog
Q8IVV7
E3 ligase component 		BindingDB:BDBM50589786 IC50 >250000 nM Low DOI: 10.7270/Q2JD51RW
PMID: 36117290 		1