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BDBM708611

E3L035271
Internal ID: BDB035271
Activity data available Local docking-ready structure
Dock with Q66K64
Structure
/e3_file/ligand_db/generated/BDB035271/BDB035271.sdf
Basic Properties
Compound ID
E3L035271
Internal ID
BDB035271
Molecular formula
C15H10Cl2N4O4S
Molecular weight
413.242000
Exact mass
411.979981
XLogP
3.0014
TPSA
113.1800
HBA / HBD
5 / 3
Rotatable bonds
3
Heavy atoms / rings
26 / 4
Activity summary
IC50 > 100000.00000000 nM
1 activity record(s) imported
InChIKey
GLCWFMIMJYKZTN-UHFFFAOYSA-N
SMILES
O=C1COc2cc(S(=O)(=O)Nc3ccc(Cl)c4c(Cl)c[nH]c34)cnc2N1
Aliases
BDBM708611 (preferred) N-(3,4-dichloro-1H-indol-7-yl)-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-7-sulfonamide (source_name) BDBM708611 (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:BDBM708611 medium
; target=DDB1- and CUL4-associated factor 15
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM708611 Open - 10.7270/Q2TH8S6G
PubChem CID175664446 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready O=C1COc2cc(S(=O)(=O)Nc3ccc(Cl)c4c(Cl)c[nH]c34)cnc2N1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB035271/BDB035271.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB035271/BDB035271.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB035271/BDB035271.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB035271/BDB035271.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB035271/BDB035271.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
DDB1- and CUL4-associated factor 15
Q66K64
E3 ligase component 		BindingDB:BDBM708611 IC50 >100000 nM Low DOI: 10.7270/Q2TH8S6G 1