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2-methyl-N-(1,3-thiazol-2-yl)benzamide

E3L032993
Internal ID: BDB032993
Activity data available Local docking-ready structure
Dock with Q16531
Structure
/e3_file/ligand_db/generated/BDB032993/BDB032993.sdf
Basic Properties
Compound ID
E3L032993
Internal ID
BDB032993
Molecular formula
C11H10N2OS
Molecular weight
218.281000
Exact mass
218.051384
XLogP
2.7038
TPSA
41.9900
HBA / HBD
3 / 1
Rotatable bonds
2
Heavy atoms / rings
15 / 2
Activity summary
Kd < 20000.00000000 nM
1 activity record(s) imported
InChIKey
UOJCOUIZCYPYTH-UHFFFAOYSA-N
SMILES
Cc1ccccc1C(=O)Nc1nccs1
Aliases
BDBM655764 (preferred) 2-methyl-N-(1,3-thiazol-2-yl)benzamide (source_name) BDBM655764 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
Q16531 DDB1;XAP1
DNA damage-binding protein 1		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM655764 medium
; target=DNA damage-binding protein 1
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM655764 Open - 10.7270/Q22N56JB
PubChem CID689974 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready Cc1ccccc1C(=O)Nc1nccs1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB032993/BDB032993.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB032993/BDB032993.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB032993/BDB032993.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB032993/BDB032993.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB032993/BDB032993.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
DNA damage-binding protein 1
Q16531
E3 ligase component 		BindingDB:BDBM655764 Kd <20000 nM Uncertain DOI: 10.7270/Q22N56JB 1