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5-Phenyl-1H-indazole

E3L044113
Internal ID: BDB044113
Activity data available Local docking-ready structure
Dock with Q92630
Structure
/e3_file/ligand_db/generated/BDB044113/BDB044113.sdf
Basic Properties
Compound ID
E3L044113
Internal ID
BDB044113
Molecular formula
C13H10N2
Molecular weight
194.237000
Exact mass
194.084398
XLogP
3.2299
TPSA
28.6800
HBA / HBD
1 / 1
Rotatable bonds
1
Heavy atoms / rings
15 / 3
Activity summary
IC50 unknown 1250.00000000 nM
1 activity record(s) imported
InChIKey
JQHTYMOOIFVIJV-UHFFFAOYSA-N
SMILES
c1ccc(-c2ccc3[nH]ncc3c2)cc1
Aliases
BDBM50022257 (preferred) 5-Phenyl-1H-indazole (source_name) BDBM50022257 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
Q92630 DYRK2
Dual specificity tyrosine-phosphorylation-regulated kinase 2		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM50022257 medium
; target=Dual specificity tyrosine-phosphorylation-regulated kinase 2
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50022257 Open - 10.7270/Q2X92GJT PMID: 36876904
PubChem CID15240186 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready c1ccc(-c2ccc3[nH]ncc3c2)cc1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB044113/BDB044113.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB044113/BDB044113.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB044113/BDB044113.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB044113/BDB044113.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB044113/BDB044113.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Dual specificity tyrosine-phosphorylation-regulated kinase 2
Q92630
E3 ligase component 		BindingDB:BDBM50022257 IC50 1250 nM Low DOI: 10.7270/Q2X92GJT
PMID: 36876904 		1