Molecule Details
| InChIKey | ACPGEFYNFSMQSQ-SFTDATJTSA-N |
|---|---|
| Compound Name | prolyl-2,3-diaminopropionic acid (DAP) scaffold, 19 |
| Canonical SMILES | Cc1cc(C)cc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](CNC(=O)NCc2ccccc2)C(=O)O)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.82 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P17301 | ITGA2 | Homo sapiens | Human | PF01839 PF20805 PF20806 PF00092 | 7.3 | IC50 | ChEMBL |
| P05556 | ITGB1 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 7.0 | IC50 | ChEMBL;BindingDB |
| P13612 | ITGA4 | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 | 6.1 | IC50 | ChEMBL;BindingDB |