Molecule Details
| InChIKey | HMTCBXPQKWFOMG-QWXJMLLVSA-N |
|---|---|
| Compound Name | (2S)-6-amino-N-[(2S,3R)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide |
| Canonical SMILES | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.46 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35346 | SSTR5 | Homo sapiens | Human | PF00001 | 8.8 | Ki | BindingDB |
| P32745 | SSTR3 | Homo sapiens | Human | PF00001 | 8.7 | Ki | BindingDB |
| P30874 | SSTR2 | Homo sapiens | Human | PF00001 | 8.5 | Ki | BindingDB |
| P30872 | SSTR1 | Homo sapiens | Human | PF00001 | 8.2 | Ki | BindingDB |
| P31391 | SSTR4 | Homo sapiens | Human | PF00001 | 8.1 | Ki | BindingDB |