Molecule Details
| InChIKey | YBJHBAHKTGYVGT-ZKWXMUAHSA-N |
|---|---|
| Canonical SMILES | O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.28 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00121 |
|---|---|
| Drug Name | Biotin |
| CAS Number | 58-85-5 |
| Groups | approved investigational nutraceutical |
| ATC Codes | A11HA05 |
| Description | A water-soluble, enzyme co-factor present in minute amounts in every living cell. It occurs mainly bound to proteins or polypeptides and is abundant in liver, kidney, pancreas, yeast, and milk. |
Categories: Alimentary Tract and Metabolism Coenzymes Diet, Food, and Nutrition Dietary Supplements Enzymes and Coenzymes Food Growth Substances Imidazoles Micronutrients Physiological Phenomena Supplements Vitamin B Complex Vitamins
Cross-references: BindingDB: 12 ChEBI: 15956 CHEMBL857 ChemSpider: 149962 Drugs Product Database (DPD): 4962 C00120 D00029 PDB: BTN PharmGKB: PA448625 PubChem:171548 PubChem:46508694 RxCUI: 1588 Wikipedia: Biotin ZINC: ZINC000035024346
Target Activities (2)
DrugBank Target Actions (11)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q16678 | CYP1B1 | Cytochrome P450 1B1 | inducer | enzymes |
| O00763 | ACACB | Acetyl-CoA carboxylase 2 | cofactor | targets |
| P05165 | PCCA | Propionyl-CoA carboxylase alpha chain, mitochondrial | cofactor | targets |
| P05166 | P05166 | Propionyl-CoA carboxylase beta chain, mitochondrial | cofactor | targets |
| P11498 | P11498 | Pyruvate carboxylase, mitochondrial | cofactor | targets |
| Q13085 | ACACA | Acetyl-CoA carboxylase 1 | cofactor | targets |
| Q96RQ3 | Q96RQ3 | Methylcrotonoyl-CoA carboxylase subunit alpha, mitochondrial | cofactor | targets |
| Q9HCC0 | MCCC2 | Methylcrotonoyl-CoA carboxylase beta chain, mitochondrial | cofactor | targets |
| P50747 | HLCS | Biotin--protein ligase | substrate | targets |
| Q8N695 | Q8N695 | Sodium-coupled monocarboxylate transporter 1 | substrate | transporters |
| Q9Y289 | SLC5A6 | Sodium-dependent multivitamin transporter | substrate | transporters |