Molecule Details
InChIKeyKBOGUFFJCBPJEH-SQGSUPJISA-N
Compound NameBiotinol-5-amp
Canonical SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OCCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)[C@@H](O)[C@H]1O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL6.92
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB04651
Drug NameBIOTINOL-5-AMP
CAS Numbernan
Groups experimental
ATC Codes nan
Descriptionnan
Cross-references: BindingDB: 50039492 CHEMBL1231498 ChemSpider: 4810310 PDB: BTX PubChem:6102809 PubChem:46504526 ZINC: ZINC000014881284
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P50747 HLCS Homo sapiens Human PF02237 PF03099 6.7 Ki ChEMBL;BindingDB
A0A0E7NXW5 birA Staphylococcus aureus Pathogen PF02237 PF03099 PF08279 7.1 IC50 ChEMBL
DrugBank Target Actions (1)
Target Gene Target Name Action Type
P06709 birA Bifunctional ligase/repressor BirA binder targets