Molecule Details
| InChIKey | FRXCQHJSACJLPG-USPBVUDKSA-N |
|---|---|
| Compound Name | R(Pmc)-D-H-R-G-D-(Y-OMe)-R-C-R |
| Canonical SMILES | COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](N)CCC/N=C(/N)NC(=O)[C@H](N)C3(CCCCC3)SSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@@H](CCCN=C(N)N)NC2=O)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.68 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P05106 | ITGB3 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 6.7 | IC50 | ChEMBL |
| P08514 | ITGA2B | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00357 | 6.7 | IC50 | ChEMBL;BindingDB |
| P08648 | ITGA5 | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 | 6.7 | IC50 | BindingDB |
| P18084 | ITGB5 | Homo sapiens | Human | PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 6.7 | IC50 | BindingDB |