Molecule Details
| InChIKey | ZYZCGGRZINLQBL-GWRQVWKTSA-N |
|---|---|
| Compound Name | Microcystin-lr |
| Canonical SMILES | C=C1C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](Cc2ccccc2)OC)[C@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Unknown |
| Avg pChEMBL | 9.23 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P63151 | PPP2R2A | Homo sapiens | Human | — | 10.2 | IC50 | ChEMBL;BindingDB |
| Q15172 | PPP2R5A | Homo sapiens | Human | PF01603 | 10.0 | IC50 | ChEMBL;BindingDB |
| P18031 | PTPN1 | Homo sapiens | Human | PF00102 | 9.5 | IC50 | ChEMBL;BindingDB |
| P48307 | TFPI2 | Homo sapiens | Human | PF00014 | 9.0 | IC50 | ChEMBL |
| P53041 | PPP5C | Homo sapiens | Human | PF00149 PF08321 PF00515 | 9.0 | IC50 | ChEMBL;BindingDB |
| P36873 | PPP1CC | Homo sapiens | Human | PF00149 PF16891 | 8.9 | IC50 | ChEMBL;BindingDB |
| P50391 | NPY4R | Homo sapiens | Human | PF00001 | 8.8 | IC50 | ChEMBL |
| P35813 | PPM1A | Homo sapiens | Human | PF00481 PF07830 | 8.5 | IC50 | ChEMBL;BindingDB |