Molecule Details
| InChIKey | PRKRCMZHFKTMTR-OKTZHENNSA-N |
|---|---|
| Compound Name | (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-6-amino-N-[(E)-4-(diaminomethylideneamino)but-2-enyl]hexanamide |
| Canonical SMILES | CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NC/C=C/CNC(=N)N)C(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.94 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P16519 | PCSK2 | Homo sapiens | Human | PF01483 PF00082 PF16470 | 8.8 | Ki | ChEMBL |
| P29122 | PCSK6 | Homo sapiens | Human | PF14843 PF01483 PF00082 PF08686 PF16470 | 8.3 | Ki | ChEMBL |
| P09958 | FURIN | Homo sapiens | Human | PF01483 PF00082 PF16470 | 7.6 | Ki | ChEMBL |
| Q16549 | PCSK7 | Homo sapiens | Human | PF01483 PF00082 PF16470 | 7.1 | Ki | ChEMBL |