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Ac-Pro-Leu-Phe-OGly-OH

E3L055144
Internal ID: BDB055144
Activity data available Local docking-ready structure
Dock with P19021
Structure
/e3_file/ligand_db/generated/BDB055144/BDB055144.sdf
Basic Properties
Compound ID
E3L055144
Internal ID
BDB055144
Molecular formula
C24H33N3O7
Molecular weight
475.542000
Exact mass
475.231850
XLogP
0.8835
TPSA
142.1100
HBA / HBD
6 / 3
Rotatable bonds
11
Heavy atoms / rings
34 / 2
Activity summary
IC50 unknown 6000.00000000 nM
2 activity record(s) imported
InChIKey
GJBCLIAMROAICZ-UFYCRDLUSA-N
SMILES
CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC(=O)O
Aliases
BDBM50401750 (preferred) Ac-Pro-Leu-Phe-OGly-OH (source_name) BDBM50401750 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
P19021 PAM
Peptidyl-glycine alpha-amidating monooxygenase		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM50401750 medium
; target=Peptidyl-glycine alpha-amidating monooxygenase
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50401750 Open - 10.1016/j.bmcl.2012.10.004 PMID: 23084901
PubChem CID71454252 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC(=O)O keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB055144/BDB055144.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB055144/BDB055144.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB055144/BDB055144.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB055144/BDB055144.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB055144/BDB055144.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Peptidyl-glycine alpha-amidating monooxygenase
P19021
E3 ligase component 		BindingDB:BDBM50401750 IC50 6000 nM Low DOI: 10.1016/j.bmcl.2012.10.004
PMID: 23084901 		1
Peptidyl-glycine alpha-amidating monooxygenase
P19021
E3 ligase component 		BindingDB:BDBM50401750 IC50 38000 nM Low DOI: 10.1016/j.bmcl.2012.10.004
PMID: 23084901 		1