Molecule Details
InChIKeyAUTOLBMXDDTRRT-JGVFFNPUSA-N
Compound NameDesthiobiotin
Canonical SMILESC[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.61
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB03775
Drug NameDethiobiotin
CAS Number533-48-2
Groups experimental
ATC Codes nan
Descriptionnan
Categories: Coenzymes Enzymes and Coenzymes Imidazoles Immunologic Factors Immunosuppressive Agents Mitogens Mitosis Modulators
Cross-references: BindingDB: 66184 ChEBI: 42280 CHEMBL1232381 ChemSpider: 392787 PDB: DTB PubChem:445027 PubChem:46504720 ZINC: ZINC000094437777
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P00519 ABL1 Homo sapiens Human PF08919 PF07714 PF00017 PF00018 8.0 IC50 ChEMBL;BindingDB
Q13671 RIN1 Homo sapiens Human PF00788 PF23268 PF02204 8.0 IC50 ChEMBL
Q9Y5X4 NR2E3 Homo sapiens Human PF00104 PF00105 6.8 IC50 ChEMBL;BindingDB
DrugBank Target Actions (3)
Target Gene Target Name Action Type
P12996 P12996 Biotin synthase binder targets
P13000 P13000 ATP-dependent dethiobiotin synthetase BioD 1 binder targets
P9WPQ5 P9WPQ5 Dethiobiotin synthetase BioD binder targets