Molecule Details
| InChIKey | WVAQUPKNOLTBEG-GWRXSCNRSA-P |
|---|---|
| Compound Name | 4-[(4R,7S,10S,13R,16S)-4-{[(2R)-1,3-dihydroxybutan-2-yl]carbamoyl}-16-[(4-hydroxy-3-iodophenyl)methyl]-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-19-[3-phenyl-2-({[(4R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl}azaniumyl)propanamido]-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-10-yl]butan-1-aminium |
| Canonical SMILES | CC(O)[C@@H]1NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)c(I)c2)NC(=O)C(NC(=O)C(Cc2ccccc2)[NH2+]CC2(O)OCC(O)[C@@H](O)C2O)CSSC[C@@H](C(=O)N[C@H](CO)C(C)O)NC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.1 |
| Source | BindingDB |
2D Structure
Activity Profile