Molecule Details
| InChIKey | SABYITLYKSVAAD-CNEMSGBDSA-N |
|---|---|
| Compound Name | 5'-O-((2-Hydroxybenzoyl)sulfamoyl)adenosine |
| Canonical SMILES | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.91 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P71716 | mbtA | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Pathogen | PF00501 PF13193 | 8.2 | Ki | ChEMBL;BindingDB |
| P9WGR1 | inhA | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Pathogen | PF13561 | 8.2 | Ki | ChEMBL |
| Q3V7P9 | ybtE | Yersinia pseudotuberculosis serotype I (strain IP32953) | Pathogen | PF00501 PF13193 | 8.2 | IC50 | BindingDB |
| Q56950 | irp5 | Yersinia pestis | Pathogen | PF00501 PF13193 | 8.0 | IC50 | ChEMBL |
| Q9HWG3 | pchD | Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) | Pathogen | PF00501 PF13193 | 7.9 | IC50 | ChEMBL |
| Q9I4X3 | pqsA | Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) | Pathogen | PF00501 PF13193 | 7.1 | Ki | ChEMBL;BindingDB |