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H-Pro-Gly-Leu-Trp-Lys-Ser-Cys-OH

E3L061909
Internal ID: BDB061909
Activity data available Local docking-ready structure
Dock with Q8IVV7
Structure
/e3_file/ligand_db/generated/BDB061909/BDB061909.sdf
Basic Properties
Compound ID
E3L061909
Internal ID
BDB061909
Molecular formula
C36H55N9O9S
Molecular weight
789.957000
Exact mass
789.384345
XLogP
-1.8156
TPSA
285.9700
HBA / HBD
11 / 12
Rotatable bonds
23
Heavy atoms / rings
55 / 3
Activity summary
Kd unknown 1900.00000000 nM
1 activity record(s) imported
InChIKey
NPFAUGYEWVKESQ-AQRCPPRCSA-N
SMILES
CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O
Aliases
BDBM50589782 (preferred) H-Pro-Gly-Leu-Trp-Lys-Ser-Cys-OH (source_name) BDBM50589782 (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:BDBM50589782 medium
; target=Glucose-induced degradation protein 4 homolog
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50589782 Open - 10.7270/Q2JD51RW PMID: 36117290
PubChem CID168289257 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)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB061909/BDB061909.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB061909/BDB061909.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB061909/BDB061909.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB061909/BDB061909.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB061909/BDB061909.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Glucose-induced degradation protein 4 homolog
Q8IVV7
E3 ligase component 		BindingDB:BDBM50589782 Kd 1900 nM Low DOI: 10.7270/Q2JD51RW
PMID: 36117290 		1