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Mifobate

E3L049471
Internal ID: BDB049471
Activity data available Local docking-ready structure
Dock with P37231
Structure
/e3_file/ligand_db/generated/BDB049471/BDB049471.sdf
Basic Properties
Compound ID
E3L049471
Internal ID
BDB049471
Molecular formula
C11H17ClO7P2
Molecular weight
358.651000
Exact mass
358.013804
XLogP
4.2420
TPSA
80.2900
HBA / HBD
7 / 0
Rotatable bonds
8
Heavy atoms / rings
21 / 1
Activity summary
IC50 unknown 140000.00000000 nM
1 activity record(s) imported
InChIKey
VQHUQHAPWMNBLP-UHFFFAOYSA-N
SMILES
COP(=O)(OC)OC(c1ccc(Cl)cc1)P(=O)(OC)OC
Aliases
BDBM50240444 (preferred) Mifobate (source_name) BDBM50240444 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
P37231 PPARG;NR1C3
Peroxisome proliferator-activated receptor gamma		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM50240444 medium
; target=Peroxisome proliferator-activated receptor gamma
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50240444 Open - 10.1016/j.ejmech.2008.01.032 PMID: 18329752
PubChem CID60910 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready COP(=O)(OC)OC(c1ccc(Cl)cc1)P(=O)(OC)OC keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB049471/BDB049471.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB049471/BDB049471.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB049471/BDB049471.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB049471/BDB049471.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB049471/BDB049471.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Peroxisome proliferator-activated receptor gamma
P37231
E3 ligase component 		BindingDB:BDBM50240444 IC50 140000 nM Low DOI: 10.1016/j.ejmech.2008.01.032
PMID: 18329752 		1