Molecule Details
| InChIKey | BSPZFJDYQHDZNR-ASPXRTSYSA-M |
|---|---|
| Compound Name | (2S)-1-hydroxy-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonate |
| Canonical SMILES | CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCNC1=O)C(O)S(=O)(=O)[O-] |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.86 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P43235 | CTSK | Homo sapiens | Human | PF08246 PF00112 | 9.4 | IC50 | BindingDB |
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 8.7 | IC50 | BindingDB |
| P07384 | CAPN1 | Homo sapiens | Human | PF01067 PF13833 PF00648 | 7.1 | IC50 | BindingDB |
| P0C6X4 | rep | Human coronavirus HKU1 (isolate N5) | Pathogen | PF13087 PF13604 PF11963 PF16251 PF06471 PF06460 PF09401 PF20631 PF20633 PF20632 PF19215 PF19216 PF19219 PF19218 PF16348 PF19217 PF19213 PF08716 PF08717 PF08710 PF08715 PF06478 PF01661 PF22104 PF01831 PF05409 PF00680 | 7.8 | IC50 | BindingDB |
| A0A1L2E0X0 | orf1a | Middle East respiratory syndrome-related coronavirus | Pathogen | PF16251 PF11501 PF11633 PF09401 PF19212 PF19211 PF19218 PF16348 PF19217 PF19213 PF08716 PF08717 PF08710 PF08715 PF01661 PF05409 | 7.5 | IC50 | BindingDB |
| K9N638 | Middle East respiratory syndrome-related coronavirus (isolate United Kingdom/H123990006/2012) | Pathogen | PF16251 PF11501 PF11633 PF09401 PF19212 PF19211 PF19218 PF16348 PF19217 PF19213 PF08716 PF08717 PF08710 PF08715 PF01661 PF05409 | 6.6 | IC50 | BindingDB |