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N-(2,6-dioxo-3-piperidyl)-1-methyl-indole-3-carboxamide

E3L031571
Internal ID: BDB031571
Activity data available Local docking-ready structure
Dock with Q16531 Dock with Q96SW2
Structure
/e3_file/ligand_db/generated/BDB031571/BDB031571.sdf
Basic Properties
Compound ID
E3L031571
Internal ID
BDB031571
Molecular formula
C15H15N3O3
Molecular weight
285.303000
Exact mass
285.111341
XLogP
0.7133
TPSA
80.2000
HBA / HBD
3 / 2
Rotatable bonds
2
Heavy atoms / rings
21 / 3
Activity summary
Kd unknown 30.00000000 nM
2 activity record(s) imported
InChIKey
RKPBOLOTHPHQOI-UHFFFAOYSA-N
SMILES
Cn1cc(C(=O)NC2CCC(=O)NC2=O)c2ccccc21
Aliases
BDBM631081 (preferred) N-(2,6-dioxo-3-piperidyl)-1-methyl-indole-3-carboxamide (source_name) BDBM631081 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
Q16531 DDB1;XAP1
DNA damage-binding protein 1		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM631081 medium
; target=DNA damage-binding protein 1
Q96SW2 CRBN;AD-006
Protein cereblon		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM631081 medium
; target=DNA damage-binding protein 1
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM631081 Open - 10.7270/Q20869GN
PubChem CID65970212 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready Cn1cc(C(=O)NC2CCC(=O)NC2=O)c2ccccc21 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB031571/BDB031571.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB031571/BDB031571.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB031571/BDB031571.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB031571/BDB031571.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB031571/BDB031571.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
DNA damage-binding protein 1
Q16531
E3 ligase component 		BindingDB:BDBM631081 Kd 30 nM High DOI: 10.7270/Q20869GN 2 source records