Molecule Details
| InChIKey | FBEWYOLFNVQHDU-KRWDZBQOSA-N |
|---|---|
| Compound Name | (2S)-2-(butylsulfonylamino)-3-[3-(1,2,3,4-tetrahydroisoquinoline-7-carbonylamino)propanoylamino]propanoic acid |
| Canonical SMILES | CCCCS(=O)(=O)N[C@@H](CNC(=O)CCNC(=O)c1ccc2c(c1)CNCC2)C(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.74 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P05106 | ITGB3 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 6.9 | IC50 | ChEMBL |
| P08514 | ITGA2B | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00357 | 6.9 | IC50 | ChEMBL |
| P17301 | ITGA2 | Homo sapiens | Human | PF01839 PF20805 PF20806 PF00092 | 6.5 | IC50 | BindingDB |