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ZP-amide A

E3L046489
Internal ID: BDB046489
Activity data available Local docking-ready structure
Dock with P37231 Dock with Q07869
Structure
/e3_file/ligand_db/generated/BDB046489/BDB046489.sdf
Basic Properties
Compound ID
E3L046489
Internal ID
BDB046489
Molecular formula
C16H25NO4
Molecular weight
295.379000
Exact mass
295.178358
XLogP
1.2722
TPSA
86.6300
HBA / HBD
4 / 3
Rotatable bonds
9
Heavy atoms / rings
21 / 0
Activity summary
EC50 unknown 19100.00000000 nM
2 activity record(s) imported
InChIKey
VCRNTFWOWYDPLY-LPPZWSRQSA-N
SMILES
CC(=O)/C=C/C=C/C(O)CC/C=C/C(=O)NCC(C)(C)O
Aliases
BDBM50137095 (preferred) ZP-amide A (source_name) BDBM50137095 (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:BDBM50137095 medium
; target=Peroxisome proliferator-activated receptor gamma
Q07869 PPARA;NR1C1;PPAR
Peroxisome proliferator-activated receptor alpha		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM50137095 medium
; target=Peroxisome proliferator-activated receptor gamma
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50137095 Open - 10.1016/j.bmcl.2015.12.015 PMID: 26707398
PubChem CID71719469 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready CC(=O)/C=C/C=C/C(O)CC/C=C/C(=O)NCC(C)(C)O keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB046489/BDB046489.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB046489/BDB046489.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB046489/BDB046489.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB046489/BDB046489.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB046489/BDB046489.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Peroxisome proliferator-activated receptor gamma
P37231
E3 ligase component 		BindingDB:BDBM50137095 EC50 19100 nM Low DOI: 10.1016/j.bmcl.2015.12.015
PMID: 26707398 		1
Peroxisome proliferator-activated receptor gamma
Q07869
E3 ligase component 		BindingDB:BDBM50137095 EC50 19100 nM Low DOI: 10.1016/j.bmcl.2015.12.015
PMID: 26707398 		1