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BDBM50589802

E3L061929
Internal ID: BDB061929
Activity data available Local docking-ready structure
Dock with Q8IVV7
Structure
/e3_file/ligand_db/generated/BDB061929/BDB061929.sdf
Basic Properties
Compound ID
E3L061929
Internal ID
BDB061929
Molecular formula
C30H44N4O4
Molecular weight
524.706000
Exact mass
524.336256
XLogP
2.8832
TPSA
108.5600
HBA / HBD
5 / 4
Rotatable bonds
14
Heavy atoms / rings
38 / 2
Activity summary
IC50 unknown 4700.00000000 nM
1 activity record(s) imported
InChIKey
VWEUUVZMTLGMMV-IZZNHLLZSA-N
SMILES
CCCCNCC(=O)N[C@H](Cc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](Cc1cccc(OC)c1)C(=O)NC
Aliases
BDBM50589802 (preferred) N-butylglycyl-4-tert-butyl-D-phenylalanyl-3-methoxy-N-methyl-L-phenylalaninamide (source_name) BDBM50589802 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
Q8IVV7 GID4;C17orf39;VID24
Glucose-induced degradation protein 4 homolog		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM50589802 medium
; target=Glucose-induced degradation protein 4 homolog
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50589802 Open - 10.7270/Q2JD51RW PMID: 36117290
PubChem CID165180702 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready CCCCNCC(=O)N[C@H](Cc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](Cc1cccc(OC)c1)C(=O)NC keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB061929/BDB061929.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB061929/BDB061929.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB061929/BDB061929.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB061929/BDB061929.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB061929/BDB061929.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Glucose-induced degradation protein 4 homolog
Q8IVV7
E3 ligase component 		BindingDB:BDBM50589802 IC50 4700 nM Low DOI: 10.7270/Q2JD51RW
PMID: 36117290 		1