Molecule Details
| InChIKey | MGULBRZEATXHGH-KZFNIDOVSA-P |
|---|---|
| Compound Name | [1-[[(4R,7S,10S,13R,16S)-10-(4-azaniumylbutyl)-4-[[(1S)-1-carboxy-2-hydroxypropyl]carbamoyl]-7-(1-hydroxyethyl)-16-[(4-hydroxy-3-iodophenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]-[[(4R)-4-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,5-trihydroxyoxan-2-yl]methyl]azanium |
| Canonical SMILES | CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)C2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.92 |
| Source | BindingDB |
2D Structure
Activity Profile