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Uridine

E3L045556
Internal ID: BDB045556
Activity data available Local docking-ready structure
Dock with Q96SW2
Structure
/e3_file/ligand_db/generated/BDB045556/BDB045556.sdf
Basic Properties
Compound ID
E3L045556
Internal ID
BDB045556
Molecular formula
C9H12N2O6
Molecular weight
244.203000
Exact mass
244.069536
XLogP
-2.8519
TPSA
124.7800
HBA / HBD
6 / 4
Rotatable bonds
2
Heavy atoms / rings
17 / 2
Activity summary
Ki unknown 390000.00000000 nM
2 activity record(s) imported
InChIKey
DRTQHJPVMGBUCF-XVFCMESISA-N
SMILES
O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1
Aliases
BDBM50088517 (preferred) Uridine (source_name) BDBM50088517 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
Q96SW2 CRBN;AD-006
Protein cereblon		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM50088517 medium
; target=Protein cereblon
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50088517 Open - 10.1021/acsmedchemlett.0c00440 PMID: 33488967
PubChem CID6029 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB045556/BDB045556.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB045556/BDB045556.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB045556/BDB045556.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB045556/BDB045556.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB045556/BDB045556.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Protein cereblon
Q96SW2
E3 ligase component 		BindingDB:BDBM50088517 IC50 757000 nM Low DOI: 10.1021/acsmedchemlett.0c00440
PMID: 33488967 		1
Protein cereblon
Q96SW2
E3 ligase component 		BindingDB:BDBM50088517 Ki 390000 nM Low DOI: 10.1021/acsmedchemlett.0c00440
PMID: 33488967 		1