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BDBM633551

E3L031675
Internal ID: BDB031675
Activity data available Local docking-ready structure
Dock with Q66K64
Structure
/e3_file/ligand_db/generated/BDB031675/BDB031675.sdf
Basic Properties
Compound ID
E3L031675
Internal ID
BDB031675
Molecular formula
C13H9N5O2S
Molecular weight
299.315000
Exact mass
299.047696
XLogP
1.4018
TPSA
100.1500
HBA / HBD
5 / 1
Rotatable bonds
3
Heavy atoms / rings
21 / 3
Activity summary
EC50 > 10000.00000000 nM
1 activity record(s) imported
InChIKey
UNHDVIMRCMDFTK-UHFFFAOYSA-N
SMILES
N#Cc1cccc(S(=O)(=O)Nc2cccn3ncnc23)c1
Aliases
BDBM633551 (preferred) 3-Cyano-N-{[1,2,4]triazolo[1,5-A]pyridin-8-YL}benzene-1-sulfonamide (source_name) BDBM633551 (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:BDBM633551 medium
; target=DDB1- and CUL4-associated factor 15
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM633551 Open - 10.7270/Q2MW2N8C
PubChem CID87054180 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready N#Cc1cccc(S(=O)(=O)Nc2cccn3ncnc23)c1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB031675/BDB031675.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB031675/BDB031675.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB031675/BDB031675.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB031675/BDB031675.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB031675/BDB031675.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
DDB1- and CUL4-associated factor 15
Q66K64
E3 ligase component 		BindingDB:BDBM633551 EC50 >10000 nM Low DOI: 10.7270/Q2MW2N8C 1