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BDBM659479

E3L033435
Internal ID: BDB033435
Activity data available Local docking-ready structure
Dock with Q66K64
Structure
/e3_file/ligand_db/generated/BDB033435/BDB033435.sdf
Basic Properties
Compound ID
E3L033435
Internal ID
BDB033435
Molecular formula
C15H14N4O2S2
Molecular weight
346.437000
Exact mass
346.055818
XLogP
3.2221
TPSA
98.6400
HBA / HBD
5 / 2
Rotatable bonds
3
Heavy atoms / rings
23 / 3
Activity summary
EC50 unknown 1441.00000000 nM
1 activity record(s) imported
InChIKey
KXUMYBTUTSGJET-UHFFFAOYSA-N
SMILES
Cc1nc(S(=O)(=O)Nc2ccc(C)c3c(C#N)c[nH]c23)c(C)s1
Aliases
BDBM659479 (preferred) N-(3-cyano-4-methyl-1H-indol-7-yl)-2,5-dimethyl-1,3-thiazole-4-sulfonamide (source_name) BDBM659479 (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:BDBM659479 medium
; target=DDB1- and CUL4-associated factor 15
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM659479 Open - 10.7270/Q2474G4C
PubChem CID170949740 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready Cc1nc(S(=O)(=O)Nc2ccc(C)c3c(C#N)c[nH]c23)c(C)s1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB033435/BDB033435.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB033435/BDB033435.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB033435/BDB033435.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB033435/BDB033435.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB033435/BDB033435.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
DDB1- and CUL4-associated factor 15
Q66K64
E3 ligase component 		BindingDB:BDBM659479 EC50 1441 nM Low DOI: 10.7270/Q2474G4C 1