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BDBM708592

E3L035252
Internal ID: BDB035252
Activity data available Local docking-ready structure
Dock with Q66K64
Structure
/e3_file/ligand_db/generated/BDB035252/BDB035252.sdf
Basic Properties
Compound ID
E3L035252
Internal ID
BDB035252
Molecular formula
C18H15Cl2N3O3S
Molecular weight
424.309000
Exact mass
423.021118
XLogP
4.1845
TPSA
82.2700
HBA / HBD
3 / 2
Rotatable bonds
3
Heavy atoms / rings
27 / 4
Activity summary
IC50 unknown 5500.00000000 nM
1 activity record(s) imported
InChIKey
LLKWDLBUCTZYGQ-UHFFFAOYSA-N
SMILES
CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(Cl)c4c(Cl)c[nH]c34)ccc21
Aliases
BDBM708592 (preferred) 1-acetyl-N-(3,4-dichloro-1H-indol-7-yl)-2,3-dihydroindole-5-sulfonamide (source_name) BDBM708592 (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:BDBM708592 medium
; target=DDB1- and CUL4-associated factor 15
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM708592 Open - 10.7270/Q2TH8S6G
PubChem CID168199893 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(Cl)c4c(Cl)c[nH]c34)ccc21 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB035252/BDB035252.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB035252/BDB035252.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB035252/BDB035252.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB035252/BDB035252.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB035252/BDB035252.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
DDB1- and CUL4-associated factor 15
Q66K64
E3 ligase component 		BindingDB:BDBM708592 IC50 5500 nM Low DOI: 10.7270/Q2TH8S6G 1