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BDBM50589784

E3L061911
Internal ID: BDB061911
Activity data available Local docking-ready structure
Dock with Q8IVV7
Structure
/e3_file/ligand_db/generated/BDB061911/BDB061911.sdf
Basic Properties
Compound ID
E3L061911
Internal ID
BDB061911
Molecular formula
C10H12N2OS
Molecular weight
208.286000
Exact mass
208.067034
XLogP
2.2954
TPSA
44.6200
HBA / HBD
4 / 2
Rotatable bonds
1
Heavy atoms / rings
14 / 2
Activity summary
Kd unknown 110000.00000000 nM
2 activity record(s) imported
InChIKey
WAICHRCMCQSSEP-ZETCQYMHSA-N
SMILES
C[C@H]1CN=C(Nc2cccc(O)c2)S1
Aliases
BDBM50589784 (preferred) 3-[[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenol (source_name) BDBM50589784 (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:BDBM50589784 medium
; target=Glucose-induced degradation protein 4 homolog
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50589784 Open - 10.7270/Q2JD51RW PMID: 36117290
PubChem CID818363 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready C[C@H]1CN=C(Nc2cccc(O)c2)S1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB061911/BDB061911.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB061911/BDB061911.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB061911/BDB061911.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB061911/BDB061911.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB061911/BDB061911.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Glucose-induced degradation protein 4 homolog
Q8IVV7
E3 ligase component 		BindingDB:BDBM50589784 IC50 148500 nM Low DOI: 10.7270/Q2JD51RW
PMID: 36117290 		1
Glucose-induced degradation protein 4 homolog
Q8IVV7
E3 ligase component 		BindingDB:BDBM50589784 Kd 110000 nM Low DOI: 10.7270/Q2JD51RW
PMID: 36117290 		1