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H-Pro-Gly-Leu-Trp-OH

E3L061927
Internal ID: BDB061927
Activity data available Local docking-ready structure
Dock with Q8IVV7
Structure
/e3_file/ligand_db/generated/BDB061927/BDB061927.sdf
Basic Properties
Compound ID
E3L061927
Internal ID
BDB061927
Molecular formula
C24H33N5O5
Molecular weight
471.558000
Exact mass
471.248169
XLogP
0.6789
TPSA
152.4200
HBA / HBD
5 / 6
Rotatable bonds
11
Heavy atoms / rings
34 / 3
Activity summary
Kd unknown 2300.00000000 nM
2 activity record(s) imported
InChIKey
FVXAFGNQOGEQLF-UFYCRDLUSA-N
SMILES
CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
Aliases
BDBM50589800 (preferred) H-Pro-Gly-Leu-Trp-OH (source_name) BDBM50589800 (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:BDBM50589800 medium
; target=Glucose-induced degradation protein 4 homolog
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50589800 Open - 10.7270/Q2JD51RW; 10.1039/d3md00633f PMID: 36117290; 38516600
PubChem CID132451813 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB061927/BDB061927.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB061927/BDB061927.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB061927/BDB061927.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB061927/BDB061927.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB061927/BDB061927.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Glucose-induced degradation protein 4 homolog
Q8IVV7
E3 ligase component 		BindingDB:BDBM50589800 IC50 21400 nM Low DOI: 10.7270/Q2JD51RW
PMID: 36117290 		1
Glucose-induced degradation protein 4 homolog
Q8IVV7
E3 ligase component 		BindingDB:BDBM50589800 Kd 2300 nM Low DOI: 10.1039/d3md00633f
PMID: 38516600 		1