Molecule Details
| InChIKey | ORVAWBPOXQNNOV-SVBPBHIXSA-N |
|---|---|
| Compound Name | [(1R)-1-[[(2S)-2-acetamido-4-oxo-4-[[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]amino]butanoyl]amino]-3-methylbutyl]boronic acid |
| Canonical SMILES | CC(=O)N[C@@H](CC(=O)NCC(COCc1ccccc1)COCc1ccccc1)C(=O)N[C@@H](CC(C)C)B(O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 38 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.11 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (38)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| A5LHX3 | PSMB11 | Homo sapiens | Human | PF00227 | 8.1 | IC50 | ChEMBL |
| O00231 | PSMD11 | Homo sapiens | Human | PF01399 PF18503 PF18055 | 8.1 | IC50 | ChEMBL |
| O00232 | PSMD12 | Homo sapiens | Human | PF01399 PF22241 PF18098 | 8.1 | IC50 | ChEMBL |
| O00487 | PSMD14 | Homo sapiens | Human | PF01398 PF23594 | 8.1 | IC50 | ChEMBL |
| O14818 | PSMA7 | Homo sapiens | Human | PF00227 PF10584 | 8.1 | IC50 | ChEMBL |
| O43242 | PSMD3 | Homo sapiens | Human | PF01399 PF08375 PF25573 | 8.1 | IC50 | ChEMBL |
| P17980 | PSMC3 | Homo sapiens | Human | PF00004 PF17862 PF16450 | 8.1 | IC50 | ChEMBL |
| P20618 | PSMB1 | Homo sapiens | Human | PF00227 | 8.1 | IC50 | ChEMBL |
| P25786 | PSMA1 | Homo sapiens | Human | PF00227 PF10584 | 8.1 | IC50 | ChEMBL |
| P25787 | PSMA2 | Homo sapiens | Human | PF00227 PF10584 | 8.1 | IC50 | ChEMBL |
| P25788 | PSMA3 | Homo sapiens | Human | PF00227 PF10584 | 8.1 | IC50 | ChEMBL |
| P25789 | PSMA4 | Homo sapiens | Human | PF00227 PF10584 | 8.1 | IC50 | ChEMBL |
| P28062 | PSMB8 | Homo sapiens | Human | PF00227 | 8.1 | IC50 | ChEMBL |
| P28065 | PSMB9 | Homo sapiens | Human | PF00227 | 8.1 | IC50 | ChEMBL |
| P28066 | PSMA5 | Homo sapiens | Human | PF00227 PF10584 | 8.1 | IC50 | ChEMBL |
| P28070 | PSMB4 | Homo sapiens | Human | PF00227 | 8.1 | IC50 | ChEMBL |
| P28072 | PSMB6 | Homo sapiens | Human | PF00227 | 8.1 | IC50 | ChEMBL |
| P28074 | PSMB5 | Homo sapiens | Human | PF00227 | 8.1 | IC50 | ChEMBL |
| P35998 | PSMC2 | Homo sapiens | Human | PF00004 PF17862 PF21236 | 8.1 | IC50 | ChEMBL |
| P40306 | PSMB10 | Homo sapiens | Human | PF12465 PF00227 | 8.1 | IC50 | ChEMBL |
| P43686 | PSMC4 | Homo sapiens | Human | PF00004 PF17862 PF16450 | 8.1 | IC50 | ChEMBL |
| P48556 | PSMD8 | Homo sapiens | Human | PF10075 | 8.1 | IC50 | ChEMBL |
| P49720 | PSMB3 | Homo sapiens | Human | PF00227 | 8.1 | IC50 | ChEMBL |
| P49721 | PSMB2 | Homo sapiens | Human | PF00227 | 8.1 | IC50 | ChEMBL |
| P51665 | PSMD7 | Homo sapiens | Human | PF01398 PF13012 | 8.1 | IC50 | ChEMBL |
| P55036 | PSMD4 | Homo sapiens | Human | PF02809 PF13519 | 8.1 | IC50 | ChEMBL |
| P60896 | SEM1 | Homo sapiens | Human | PF05160 | 8.1 | IC50 | ChEMBL |
| P60900 | PSMA6 | Homo sapiens | Human | PF00227 PF10584 | 8.1 | IC50 | ChEMBL |
| P62191 | PSMC1 | Homo sapiens | Human | PF00004 PF17862 PF16450 | 8.1 | IC50 | ChEMBL |
| P62195 | PSMC5 | Homo sapiens | Human | PF00004 PF17862 PF16450 | 8.1 | IC50 | ChEMBL |
| P62333 | PSMC6 | Homo sapiens | Human | PF00004 PF17862 PF16450 | 8.1 | IC50 | ChEMBL |
| Q13200 | PSMD2 | Homo sapiens | Human | PF01851 PF18051 PF17781 | 8.1 | IC50 | ChEMBL |
| Q15008 | PSMD6 | Homo sapiens | Human | PF01399 PF10602 PF21154 | 8.1 | IC50 | ChEMBL |
| Q16186 | ADRM1 | Homo sapiens | Human | PF04683 PF16550 | 8.1 | IC50 | ChEMBL |
| Q8TAA3 | PSMA8 | Homo sapiens | Human | PF00227 PF10584 | 8.1 | IC50 | ChEMBL |
| Q99436 | PSMB7 | Homo sapiens | Human | PF12465 PF00227 | 8.1 | IC50 | ChEMBL;BindingDB |
| Q99460 | PSMD1 | Homo sapiens | Human | PF13646 PF01851 PF18004 PF21505 | 8.1 | IC50 | ChEMBL |
| Q9UNM6 | PSMD13 | Homo sapiens | Human | PF01399 PF22037 | 8.1 | IC50 | ChEMBL |