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BDBM633541

E3L031665
Internal ID: BDB031665
Activity data available Local docking-ready structure
Dock with Q66K64
Structure
/e3_file/ligand_db/generated/BDB031665/BDB031665.sdf
Basic Properties
Compound ID
E3L031665
Internal ID
BDB031665
Molecular formula
C15H10FN3O3S
Molecular weight
331.328000
Exact mass
331.042690
XLogP
1.9928
TPSA
99.0600
HBA / HBD
4 / 2
Rotatable bonds
3
Heavy atoms / rings
23 / 3
Activity summary
EC50 > 10000.00000000 nM
1 activity record(s) imported
InChIKey
ARAHRVPQFFXSKQ-UHFFFAOYSA-N
SMILES
N#Cc1cccc(S(=O)(=O)Nc2cc(F)cc3c2NC(=O)C3)c1
Aliases
BDBM633541 (preferred) 3-cyano-N-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)benzenesulfonamide (source_name) BDBM633541 (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:BDBM633541 medium
; target=DDB1- and CUL4-associated factor 15
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM633541 Open - 10.7270/Q2MW2N8C
PubChem CID139366180 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready N#Cc1cccc(S(=O)(=O)Nc2cc(F)cc3c2NC(=O)C3)c1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB031665/BDB031665.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB031665/BDB031665.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB031665/BDB031665.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB031665/BDB031665.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB031665/BDB031665.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
DDB1- and CUL4-associated factor 15
Q66K64
E3 ligase component 		BindingDB:BDBM633541 EC50 >10000 nM Low DOI: 10.7270/Q2MW2N8C 1