Molecule Details
| InChIKey | WHNFPRLDDSXQCL-UAZQEYIDSA-N |
|---|---|
| Compound Name | Msh, 2-tyr-alpha- |
| Canonical SMILES | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.72 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q01726 | MC1R | Homo sapiens | Human | PF00001 | 8.8 | IC50 | ChEMBL;BindingDB |
| P32245 | MC4R | Homo sapiens | Human | PF00001 | 7.6 | Ki | ChEMBL;BindingDB |
| P41968 | MC3R | Homo sapiens | Human | PF00001 | 7.5 | IC50 | ChEMBL;BindingDB |
| P33032 | MC5R | Homo sapiens | Human | PF00001 | 6.9 | IC50 | ChEMBL;BindingDB |