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BDBM659549

E3L033503
Internal ID: BDB033503
Activity data available Local docking-ready structure
Dock with Q66K64
Structure
/e3_file/ligand_db/generated/BDB033503/BDB033503.sdf
Basic Properties
Compound ID
E3L033503
Internal ID
BDB033503
Molecular formula
C13H10F3N3O2S2
Molecular weight
361.370000
Exact mass
361.016653
XLogP
3.7524
TPSA
74.8500
HBA / HBD
4 / 2
Rotatable bonds
3
Heavy atoms / rings
23 / 3
Activity summary
EC50 unknown 47.00000000 nM
1 activity record(s) imported
InChIKey
KIVFYYKFPJTMRN-UHFFFAOYSA-N
SMILES
Cc1ccc(NS(=O)(=O)c2cncs2)c2[nH]cc(C(F)(F)F)c12
Aliases
BDBM659549 (preferred) N-[4-methyl-3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide (source_name) BDBM659549 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
Q66K64 DCAF15;C19orf72
DDB1- and CUL4-associated factor 15		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM659549 medium
; target=DDB1- and CUL4-associated factor 15
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM659549 Open - 10.7270/Q2474G4C
PubChem CID170949689 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready Cc1ccc(NS(=O)(=O)c2cncs2)c2[nH]cc(C(F)(F)F)c12 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB033503/BDB033503.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB033503/BDB033503.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB033503/BDB033503.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB033503/BDB033503.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB033503/BDB033503.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
DDB1- and CUL4-associated factor 15
Q66K64
E3 ligase component 		BindingDB:BDBM659549 EC50 47 nM High DOI: 10.7270/Q2474G4C 1