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MY-11B

E3L067427
Internal ID: LIG001997
E3-ligand related No standardized activity value Local docking-ready structure
Dock with Q9Y4B6
Structure
/e3_file/ligand_db/generated/LIG001997/LIG001997.sdf
Basic Properties
Compound ID
E3L067427
Internal ID
LIG001997
Molecular formula
C24H19N3O2
Molecular weight
381.435000
Exact mass
381.147727
XLogP
3.3352
TPSA
62.3000
HBA / HBD
3 / 1
Rotatable bonds
4
Heavy atoms / rings
29 / 4
Activity summary
No standardized activity value was imported for this source record.
InChIKey
ZYFDJDJYKDPFFT-AUSIDOKSSA-N
SMILES
C#Cc1ccc([C@H]2CN(C(=O)C=C)[C@H]2C(=O)Nc2cccc3cccnc23)cc1
Aliases
MY-11B (preferred) e3_ligand:97 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
Q9Y4B6 DCAF1;KIAA0800;RIP;VPRBP
DDB1- and CUL4-associated factor 1
direct_binder e3_ligand Yes Yes medium e3_ligand:97 high
DCAF1
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
e3_ligand 97 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready C#Cc1ccc([C@H]2CN(C(=O)C=C)[C@H]2C(=O)Nc2cccc3cccnc23)cc1 keep_base
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/LIG001997/LIG001997.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/LIG001997/LIG001997.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/LIG001997/LIG001997.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/LIG001997/LIG001997.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/LIG001997/LIG001997.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
No standardized activity value is available in the imported source data for this compound. The E3 relation and literature/source evidence above are still retained for traceability.