CTB
N-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ACID
| Created: | 2000-09-26 |
| Last modified: | 2024-09-27 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 23 |
| Chiral Atom Count | 0 |
| Bond Count | 23 |
| Aromatic Bond Count | 5 |
Chemical Component Summary | |
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| Name | N-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ACID |
| Systematic Name (OpenEye OEToolkits) | (2-thiophen-2-ylethanoylamino)methylboronic acid |
| Formula | C7 H10 B N O3 S |
| Molecular Weight | 199.035 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NCB(O)O)Cc1sccc1 |
| SMILES | CACTVS | 3.341 | OB(O)CNC(=O)Cc1sccc1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | B(CNC(=O)Cc1cccs1)(O)O |
| Canonical SMILES | CACTVS | 3.341 | OB(O)CNC(=O)Cc1sccc1 |
| Canonical SMILES | OpenEye OEToolkits | 1.5.0 | B(CNC(=O)Cc1cccs1)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H10BNO3S/c10-7(9-5-8(11)12)4-6-2-1-3-13-6/h1-3,11-12H,4-5H2,(H,9,10) |
| InChIKey | InChI | 1.03 | VXAPSUDMBNWYNC-UHFFFAOYSA-N |
Drug Info: DrugBank
| DrugBank ID | DB02094 |
|---|---|
| Name | N-2-Thiophen-2-Yl-Acetamide Boronic Acid |
| Groups | experimental |
| Synonyms | N-2-Thiophen-2-Yl-Acetamide Boronic Acid |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| Beta-lactamase | MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIY... | unknown |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 2671 |
| ChEMBL | CHEMBL320049 |
