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BDBM708597

E3L035257
Internal ID: BDB035257
Activity data available Local docking-ready structure
Dock with Q66K64
Structure
/e3_file/ligand_db/generated/BDB035257/BDB035257.sdf
Basic Properties
Compound ID
E3L035257
Internal ID
BDB035257
Molecular formula
C15H8Cl2F2N2O4S
Molecular weight
421.208000
Exact mass
419.954990
XLogP
4.5970
TPSA
80.4200
HBA / HBD
4 / 2
Rotatable bonds
3
Heavy atoms / rings
26 / 4
Activity summary
IC50 unknown 5500.00000000 nM
1 activity record(s) imported
InChIKey
DDZIBXXYDFPOFU-UHFFFAOYSA-N
SMILES
O=S(=O)(Nc1ccc(Cl)c2c(Cl)c[nH]c12)c1ccc2c(c1)OC(F)(F)O2
Aliases
BDBM708597 (preferred) N-(3,4-dichloro-1H-indol-7-yl)-2,2-difluoro-1,3-benzodioxole-5-sulfonamide (source_name) BDBM708597 (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:BDBM708597 medium
; target=DDB1- and CUL4-associated factor 15
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM708597 Open - 10.7270/Q2TH8S6G
PubChem CID168199981 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready O=S(=O)(Nc1ccc(Cl)c2c(Cl)c[nH]c12)c1ccc2c(c1)OC(F)(F)O2 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB035257/BDB035257.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB035257/BDB035257.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB035257/BDB035257.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB035257/BDB035257.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB035257/BDB035257.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
DDB1- and CUL4-associated factor 15
Q66K64
E3 ligase component 		BindingDB:BDBM708597 IC50 5500 nM Low DOI: 10.7270/Q2TH8S6G 1