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BDBM50589783

E3L061910
Internal ID: BDB061910
Activity data available Local docking-ready structure
Dock with Q8IVV7
Structure
/e3_file/ligand_db/generated/BDB061910/BDB061910.sdf
Basic Properties
Compound ID
E3L061910
Internal ID
BDB061910
Molecular formula
C10H11FN2S
Molecular weight
210.277000
Exact mass
210.062698
XLogP
2.7289
TPSA
24.3900
HBA / HBD
3 / 1
Rotatable bonds
1
Heavy atoms / rings
14 / 2
Activity summary
IC50 unknown 264000.00000000 nM
1 activity record(s) imported
InChIKey
HACQCQBZFCWXOT-UHFFFAOYSA-N
SMILES
CC1CN=C(Nc2cccc(F)c2)S1
Aliases
BDBM50589783 (preferred) N-(3-Fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (source_name) BDBM50589783 (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:BDBM50589783 medium
; target=Glucose-induced degradation protein 4 homolog
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50589783 Open - 10.7270/Q2JD51RW PMID: 36117290
PubChem CID389119 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready CC1CN=C(Nc2cccc(F)c2)S1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB061910/BDB061910.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB061910/BDB061910.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB061910/BDB061910.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB061910/BDB061910.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB061910/BDB061910.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Glucose-induced degradation protein 4 homolog
Q8IVV7
E3 ligase component 		BindingDB:BDBM50589783 IC50 264000 nM Low DOI: 10.7270/Q2JD51RW
PMID: 36117290 		1