Molecule Details
| InChIKey | BZGYSFMJVCMPRM-LUZRJMTQSA-N |
|---|---|
| Compound Name | (2S)-2-[[(1R,4S,7S,13S,16S,19R,24R,27S,30S,33S,40S)-40-[(2-aminoacetyl)amino]-27-(3-amino-3-oxopropyl)-33-[3-(carbamoylamino)propyl]-13-(carboxymethyl)-4-[3-(diaminomethylideneamino)propyl]-16-[(1R)-1-hydroxyethyl]-30-[(4-hydroxy-3-iodophenyl)methyl]-3,6,12,15,18,26,29,32,35,41-decaoxo-20,22,37,38-tetrathia-2,5,11,14,17,25,28,31,34,42-decazatricyclo[17.16.7.07,11]dotetracontane-24-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid |
| Canonical SMILES | C[C@@H](O)[C@@H]1NC(=O)[C@@H]2NC(=O)[C@H](NC(=O)CN)CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)O)NC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)CSCS2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.72 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile